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Bafetinib

Molecular FormulaC₃₀H₃₁F₃N₈O
Average mass576.615 Da
Monoisotopic mass576.257263 Da
ChemSpider ID9562515

- 1 of 1 defined stereocentres

More details:

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

859212-16-1 [RN]

bafetinib [Spanish] [INN]

Bafetinib [INN] [USAN] [Wiki]

bafétinib [French] [INN]

bafetinibum [Latin] [INN]

Benzamide, N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)- [ACD/Index Name]

N-[3-({[4,5'-bipyrimidin]-2-yl}amino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide

N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]

N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl}-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]

N-[3-(4,5'-Bipyrimidin-2-ylamino)-4-méthylphényl]-4-{[(3S)-3-(diméthylamino)-1-pyrrolidinyl]méthyl}-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]

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NVW4Z03I9B

бафетиниб [Russian] [INN]

بافيتينيب [Arabic] [INN]

巴氟替尼 [Chinese] [INN]

(S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide

(S)-N-(3-(4,5'-bipyrimidin-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide

[859212-16-1] [RN]

4-(((3s)-3-dimethylaminopyrrolidin-1-yl)methyl)-n-(4-methyl-3-((4-pyrimidin-5-ylpyrimidin-2-yl)amino)phenyl)-3-(trifluoromethyl)benzamide

4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

4-[[(3S)-3-dimethylamino-1-pyrrolidinyl]methyl]-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]-3-(trifluoromethyl)benzamide

4-[[(3S)-3-dimethylaminopyrrolidin-1-yl]methyl]-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-3-(trifluoromethyl)benzamide

4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-N-(4-methyl-3-{[4-(pyrimidin-5-yl)pyrimidin-2-yl]amino}phenyl)-3-(trifluoromethyl)benzamide

887650-05-7 [RN]

Bafetinib(INNO-406)

carmustine;bcnu

Lyn-IN-1

MFCD11973647 [MDL number]

MFCD18633200 [MDL number]

N-(3-{[4,5'-bipyrimidine]-2-ylamino}-4-methylphenyl)-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide

N-[3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl]-4-[[(3S)-3-(dimethylamino)-1-pyrrolidinyl]methyl]-3-(trifluoromethyl)-benzamide

N-[3-({[4,5'-bipyrimidine]-2-yl}amino)-4-methylphenyl]-4-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl}-3-(trifluoromethyl)benzamide

N-[3-(4,5'-Bipyrimidin-2-Ylamino)-4-Methylphenyl]-4-{[(3s)-3-(Dimethylamino)pyrrolidin-1-Yl]methyl}-3-(Trifluoromethyl)benzamide

UNII:NVW4Z03I9B

UNII-NVW4Z03I9B

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8984 [DBID]

INNO-406 [DBID]

406 [DBID]

CHEMBL206834 [DBID]

INNO 406 [DBID]

NS-187 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.640
Molar Refractivity:	151.8±0.4 cm³
#H bond acceptors:	9
#H bond donors:	2
#Freely Rotating Bonds:	9
#Rule of 5 Violations:	1

ACD/LogP:	3.03
ACD/LogD (pH 5.5):	0.67
ACD/BCF (pH 5.5):	1.00
ACD/KOC (pH 5.5):	2.56
ACD/LogD (pH 7.4):	2.14
ACD/BCF (pH 7.4):	11.24
ACD/KOC (pH 7.4):	76.07
Polar Surface Area:	99 Å²
Polarizability:	60.2±0.5 10^-24cm³
Surface Tension:	67.1±5.0 dyne/cm
Molar Volume:	421.3±5.0 cm³

Click to predict properties on the Chemicalize site

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Bafetinib

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