2-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide

• ChemBase ID: 473959
• Molecular Formular: C19H20N4O2
• Molecular Mass: 336.3877
• Monoisotopic Mass: 336.1586259
• SMILES: n12c(nc(c1)CNC(=O)c1c(nc3c(c1)CCC3)OC)ccc(c2)C
• Canonical SMILES: COc1nc2CCCc2cc1C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C19H20N4O2/c1-12-6-7-17-21-14(11-23(17)10-12)9-20-18(24)15-8-13-4-3-5-16(13)22-19(15)25-2/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,24)
• InChIKey: XNPJSVWWLSUACS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• IUPAC Traditional name: 2-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5H,6H,7H-cyclopenta[b]pyridine-3-carboxamide
• Synonyms: 2-methoxy-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.256899
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5154078
• LogD (pH = 7.4): 2.2266867
• Log P: 2.2539475
• Molar Refractivity: 96.1203 cm^3
• Polarizability: 35.589596 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.3
• LOG S: -4.47
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 4