N-cyclopentyl-1-(2-methylpropyl)-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 703719
• Molecular Formular: C22H29N5O2
• Molecular Mass: 395.49796
• Monoisotopic Mass: 395.23212519
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ncccc1)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)c1ccccn1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C22H29N5O2/c1-15(2)13-27-19-10-12-26(22(29)18-9-5-6-11-23-18)14-17(19)20(25-27)21(28)24-16-7-3-4-8-16/h5-6,9,11,15-16H,3-4,7-8,10,12-14H2,1-2H3,(H,24,28)
• InChIKey: IGTWRYIMKZKRBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-1-(2-methylpropyl)-5-(pyridine-2-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-1-(2-methylpropyl)-5-(pyridine-2-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-1-isobutyl-5-(2-pyridinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105563
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3820932
• LogD (pH = 7.4): 2.382109
• Log P: 2.3821092
• Molar Refractivity: 122.9749 cm^3
• Polarizability: 42.084415 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.08
• LOG S: -6.17
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4