ChemSpider 2D Image | N-{2-[(2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl)carbonyl]-4-chlorophenyl}methanesulfonamide | C24H30ClN7O3S

N-{2-[(2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl)carbonyl]-4-chlorophenyl}methanesulfonamide

  • Molecular FormulaC24H30ClN7O3S
  • Average mass532.058 Da
  • Monoisotopic mass531.181946 Da
  • ChemSpider ID82962996

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

Methanesulfonamide, N-[2-[[2-[5-[(3S)-3-amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]-1-piperidinyl]carbonyl]-4-chlorophenyl]- [ACD/Index Name]
N-{2-[(2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl)carbonyl]-4-chlorophenyl}methanesulfonamide [ACD/IUPAC Name]
N-{2-[(2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-méthylpyrazolo[1,5-a]pyrimidin-2-yl}-1-pipéridinyl)carbonyl]-4-chlorophényl}méthanesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(2-{5-[(3S)-3-Amino-1-pyrrolidinyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl}-1-piperidinyl)carbonyl]-4-chlorphenyl}methansulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.735
Molar Refractivity: 138.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.97
Polar Surface Area: 134 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 64.7±7.0 dyne/cm
Molar Volume: 344.3±7.0 cm3

Click to predict properties on the Chemicalize site


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