N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 588361
• Molecular Formular: C24H28N4O3
• Molecular Mass: 420.50412
• Monoisotopic Mass: 420.21614078
• SMILES: c12c(nn(c1CCN(C2)Cc1oc(cc1)C)Cc1cc(OC)ccc1)C(=O)NC1CC1
• Canonical SMILES: COc1cccc(c1)Cn1nc(c2c1CCN(C2)Cc1ccc(o1)C)C(=O)NC1CC1
• InChI: InChI=1S/C24H28N4O3/c1-16-6-9-20(31-16)14-27-11-10-22-21(15-27)23(24(29)25-18-7-8-18)26-28(22)13-17-4-3-5-19(12-17)30-2/h3-6,9,12,18H,7-8,10-11,13-15H2,1-2H3,(H,25,29)
• InChIKey: CLQCOHCIWTYVTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[(3-methoxyphenyl)methyl]-5-[(5-methylfuran-2-yl)methyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-1-(3-methoxybenzyl)-5-[(5-methyl-2-furyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.213317
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2044955
• LogD (pH = 7.4): 2.4472344
• Log P: 2.550505
• Molar Refractivity: 130.8449 cm^3
• Polarizability: 44.95642 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.92
• LOG S: -5.24
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 6