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

• ChemBase ID: 541534
• Molecular Formular: C22H31N5O
• Molecular Mass: 381.51444
• Monoisotopic Mass: 381.25286064
• SMILES: c12c(nn(c1CCN(C2)Cc1ccncc1)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)Cc1ccncc1)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C22H31N5O/c1-16(2)13-27-20-9-12-26(14-17-7-10-23-11-8-17)15-19(20)21(25-27)22(28)24-18-5-3-4-6-18/h7-8,10-11,16,18H,3-6,9,12-15H2,1-2H3,(H,24,28)
• InChIKey: VAXGFZBGNRGSMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.221276
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3891242
• LogD (pH = 7.4): 2.5563097
• Log P: 2.6396632
• Molar Refractivity: 123.0178 cm^3
• Polarizability: 42.515114 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.63
• LOG S: -4.61
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5