1-(cyclopropylmethyl)-N-ethyl-5-(quinolin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 411013
• Molecular Formular: C23H27N5O
• Molecular Mass: 389.49338
• Monoisotopic Mass: 389.22156051
• SMILES: c12c(nn(c1CCN(C2)Cc1c2c(ncc1)cccc2)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1ccnc2c1cccc2)CC1CC1
• InChI: InChI=1S/C23H27N5O/c1-2-24-23(29)22-19-15-27(12-10-21(19)28(26-22)13-16-7-8-16)14-17-9-11-25-20-6-4-3-5-18(17)20/h3-6,9,11,16H,2,7-8,10,12-15H2,1H3,(H,24,29)
• InChIKey: ABRDWUQXHNMNQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-ethyl-5-(quinolin-4-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-ethyl-5-(quinolin-4-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-ethyl-5-(4-quinolinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118092
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.5660839
• LogD (pH = 7.4): 2.2024426
• Log P: 2.5533705
• Molar Refractivity: 125.6292 cm^3
• Polarizability: 44.514973 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: 2.59
• LOG S: -4.96
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5