Found 1 result

Search term: PAKOVKWPBKKYGI-LJQANCHMSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-(5-{[3-Cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]phenyl)acetamide | C24H29N9O

N-(5-{[3-Cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]phenyl)acetamide

  • Molecular FormulaC24H29N9O
  • Average mass459.547 Da
  • Monoisotopic mass459.249512 Da
  • ChemSpider ID59053319

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]phenyl]- [ACD/Index Name]
N-(5-{[3-Cyan-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]phenyl)acetamid [German] [ACD/IUPAC Name]
N-(5-{[3-Cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-[(3R)-3-(dimethylamino)-1-pyrrolidinyl]phenyl)acetamide [ACD/IUPAC Name]
N-(5-{[3-Cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino}-2-[(3R)-3-(diméthylamino)-1-pyrrolidinyl]phényl)acétamide [French] [ACD/IUPAC Name]
{n}-[5-[[3-Cyano-7-(Cyclopropylamino)pyrazolo[1,5-A]pyrimidin-5-Yl]amino]-2-[(3{r})-3-(Dimethylamino)pyrrolidin-1-Yl]phenyl]ethanamide
8GN

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: 1.735
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.44
ACD/LogD (pH 5.5): -1.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.76
Polar Surface Area: 114 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 323.3±7.0 cm3

Click to predict properties on the Chemicalize site


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