N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 615786
• Molecular Formular: C22H19N5O
• Molecular Mass: 369.41916
• Monoisotopic Mass: 369.15896025
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCc1nc2c(cn1)CCC2
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCc1ncc2c(n1)CCC2
• InChI: InChI=1S/C22H19N5O/c28-22(24-12-20-23-11-16-7-4-8-18(16)25-20)17-9-10-21-26-19(14-27(21)13-17)15-5-2-1-3-6-15/h1-3,5-6,9-11,13-14H,4,7-8,12H2,(H,24,28)
• InChIKey: ZWCXNIGPVLDZGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H-cyclopenta[d]pyrimidin-2-ylmethyl}-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.969477
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9513226
• LogD (pH = 7.4): 3.1405625
• Log P: 3.1436327
• Molar Refractivity: 107.9207 cm^3
• Polarizability: 41.361626 Å^3
• Polar Surface Area: 72.18 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: 2.85
• LOG S: -4.33
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 4