N-(furan-2-ylmethyl)-2-(pyridin-3-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide

• ChemBase ID: 824583
• Molecular Formular: C17H17N5O2
• Molecular Mass: 323.34918
• Monoisotopic Mass: 323.13822481
• SMILES: n1c2c([nH]c1c1cnccc1)CCN(C(=O)NCc1occc1)C2
• Canonical SMILES: O=C(N1CCc2c(C1)nc([nH]2)c1cccnc1)NCc1ccco1
• InChI: InChI=1S/C17H17N5O2/c23-17(19-10-13-4-2-8-24-13)22-7-5-14-15(11-22)21-16(20-14)12-3-1-6-18-9-12/h1-4,6,8-9H,5,7,10-11H2,(H,19,23)(H,20,21)
• InChIKey: LPHUIYLPJMIKNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-2-(pyridin-3-yl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-2-(pyridin-3-yl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carboxamide
• Synonyms: N-(2-furylmethyl)-2-pyridin-3-yl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.448606
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.14894107
• LogD (pH = 7.4): 0.3150541
• Log P: 0.31767505
• Molar Refractivity: 98.1236 cm^3
• Polarizability: 33.798977 Å^3
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.89
• LOG S: -2.32
• Polar Surface Area: 87.05 Å^2
• Rotatable Bonds: 3