1-(2-phenylethyl)-5-(propan-2-yl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 475412
• Molecular Formular: C24H29N5O
• Molecular Mass: 403.51996
• Monoisotopic Mass: 403.23721057
• SMILES: c12c(nn(c1CCN(C2)C(C)C)CCc1ccccc1)C(=O)NCc1ncccc1
• Canonical SMILES: CC(N1CCc2c(C1)c(nn2CCc1ccccc1)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C24H29N5O/c1-18(2)28-14-12-22-21(17-28)23(24(30)26-16-20-10-6-7-13-25-20)27-29(22)15-11-19-8-4-3-5-9-19/h3-10,13,18H,11-12,14-17H2,1-2H3,(H,26,30)
• InChIKey: ZEVOUBXHUMJJJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylethyl)-5-(propan-2-yl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-isopropyl-1-(2-phenylethyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-isopropyl-1-(2-phenylethyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.955
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.8235023
• LogD (pH = 7.4): 2.5085
• Log P: 2.9086473
• Molar Refractivity: 130.8732 cm^3
• Polarizability: 45.398975 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.62
• LOG S: -5.61
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6