N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 860762
• Molecular Formular: C16H18N6O
• Molecular Mass: 310.35372
• Monoisotopic Mass: 310.15420923
• SMILES: c12n(c(cn1)CNC(=O)C1c3nc[nH]c3CCN1)cccc2C
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCc1cnc2n1cccc2C
• InChI: InChI=1S/C16H18N6O/c1-10-3-2-6-22-11(7-18-15(10)22)8-19-16(23)14-13-12(4-5-17-14)20-9-21-13/h2-3,6-7,9,14,17H,4-5,8H2,1H3,(H,19,23)(H,20,21)
• InChIKey: PZENNNMXOUYVDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-({8-methylimidazo[1,2-a]pyridin-3-yl}methyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[(8-methylimidazo[1,2-a]pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.765656
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -2.4207695
• LogD (pH = 7.4): -0.5629672
• Log P: -0.4189646
• Molar Refractivity: 87.1448 cm^3
• Polarizability: 32.598183 Å^3
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -1.0
• LOG S: -1.92
• Polar Surface Area: 87.11 Å^2
• Rotatable Bonds: 3