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

• ChemBase ID: 435881
• Molecular Formular: C23H34N6O2
• Molecular Mass: 426.55506
• Monoisotopic Mass: 426.27432436
• SMILES: c12c(nn(c1CCN(C2)Cc1ccncc1)CCOC)C(=O)NCC1N(CCC1)CC
• Canonical SMILES: COCCn1nc(c2c1CCN(C2)Cc1ccncc1)C(=O)NCC1CCCN1CC
• InChI: InChI=1S/C23H34N6O2/c1-3-28-11-4-5-19(28)15-25-23(30)22-20-17-27(16-18-6-9-24-10-7-18)12-8-21(20)29(26-22)13-14-31-2/h6-7,9-10,19H,3-5,8,11-17H2,1-2H3,(H,25,30)
• InChIKey: OHZSCKLVRPQPSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-methoxyethyl)-5-(pyridin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[(1-ethyl-2-pyrrolidinyl)methyl]-1-(2-methoxyethyl)-5-(4-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.089665
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -3.1874993
• LogD (pH = 7.4): -0.2930706
• Log P: 0.8346997
• Molar Refractivity: 133.8828 cm^3
• Polarizability: 46.581024 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.2
• LOG S: -2.69
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 7