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

• ChemBase ID: 443218
• Molecular Formular: C26H34N6O3
• Molecular Mass: 478.58656
• Monoisotopic Mass: 478.26923898
• SMILES: c12c(nn(c1CCN(C(=O)C1CN(C(=O)C1)CC(C)C)C2)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: CC(CN1CC(CC1=O)C(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C26H34N6O3/c1-17(2)13-31-15-19(11-23(31)33)26(35)30-10-8-22-21(16-30)24(29-32(22)14-18-6-7-18)25(34)28-12-20-5-3-4-9-27-20/h3-5,9,17-19H,6-8,10-16H2,1-2H3,(H,28,34)
• InChIKey: LVVPBOWDSABDTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839204
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6019998
• LogD (pH = 7.4): 0.6197379
• Log P: 0.6199693
• Molar Refractivity: 142.8924 cm^3
• Polarizability: 50.15957 Å^3
• Polar Surface Area: 100.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.96
• LOG S: -4.68
• Polar Surface Area: 100.43 Å^2
• Rotatable Bonds: 7