ChemSpider 2D Image | Vibegron | C26H28N4O3

Vibegron

  • Molecular FormulaC26H28N4O3
  • Average mass444.526 Da
  • Monoisotopic mass444.216156 Da
  • ChemSpider ID28528047

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(6S)-N-[4-({(2S,5R)-5-[(R)-Hydroxy(phenyl)methyl]-2-pyrrolidinyl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
(6S)-N-[4-({(2S,5R)-5-[(R)-Hydroxy(phenyl)methyl]-2-pyrrolidinyl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
(6S)-N-[4-({(2S,5R)-5-[(R)-Hydroxy(phényl)méthyl]-2-pyrrolidinyl}méthyl)phényl]-4-oxo-4,6,7,8-tétrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
1190389-15-1 [RN]
Pyrrolo[1,2-a]pyrimidine-6-carboxamide, 4,6,7,8-tetrahydro-N-[4-[[(2S,5R)-5-[(R)-hydroxyphenylmethyl]-2-pyrrolidinyl]methyl]phenyl]-4-oxo-, (6S)- [ACD/Index Name]
Vibegron [USAN]
(6S)-N-[4-({(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl}methyl)phenyl]-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxamide
(6S)-N-[4-[[(2S,5R)-5-[(R)-hydroxy(phenyl)methyl]pyrrolidin-2-yl]methyl]phenyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
Beova
KRP-114V
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9676 [DBID]
M5TSE03W5U [DBID]
UNII:M5TSE03W5U [DBID]
UNII-M5TSE03W5U [DBID]
  • Miscellaneous

    • Chemical Class:

      A pyrrolopyrimidine obtained by formal condensation of the carboxy group of (6S)-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]pyrimidine-6-carboxylic acid with the amino group of (R)-[(2R,5S)-5-(4-aminobenzy l)pyrrolidin-2-yl](phenyl)methanol. It is a beta3-adrenergic receptor agonist currently in clinical development for the treatment of patients with overactive bladder. ChEBI CHEBI:142418

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: 1.698
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 94 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 324.9±7.0 cm3

Click to predict properties on the Chemicalize site


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