1-(cyclopropylmethyl)-5-(1H-indole-3-carbonyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 687524
• Molecular Formular: C26H26N6O2
• Molecular Mass: 454.52364
• Monoisotopic Mass: 454.2117241
• SMILES: c12c(nn(c1CCN(C(=O)c1c[nH]c3c1cccc3)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1c[nH]c2c1cccc2)CC1CC1)NCc1ccccn1
• InChI: InChI=1S/C26H26N6O2/c33-25(29-13-18-5-3-4-11-27-18)24-21-16-31(12-10-23(21)32(30-24)15-17-8-9-17)26(34)20-14-28-22-7-2-1-6-19(20)22/h1-7,11,14,17,28H,8-10,12-13,15-16H2,(H,29,33)
• InChIKey: ZFXCLTQRHCOYLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(1H-indole-3-carbonyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(1H-indole-3-carbonyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(1H-indol-3-ylcarbonyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.235048
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0645688
• LogD (pH = 7.4): 2.0823061
• Log P: 2.0825381
• Molar Refractivity: 140.3084 cm^3
• Polarizability: 49.495453 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.09
• LOG S: -7.52
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 6