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

• ChemBase ID: 686975
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)NCc1nc2c(cn1)CCC2
• Canonical SMILES: Cc1ccc2n(c1)cc(n2)C(=O)NCc1ncc2c(n1)CCC2
• InChI: InChI=1S/C17H17N5O/c1-11-5-6-16-21-14(10-22(16)9-11)17(23)19-8-15-18-7-12-3-2-4-13(12)20-15/h5-7,9-10H,2-4,8H2,1H3,(H,19,23)
• InChIKey: JFUHRWACLCGPSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.399086
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9773294
• LogD (pH = 7.4): 1.9863685
• Log P: 1.9864852
• Molar Refractivity: 87.8257 cm^3
• Polarizability: 32.185986 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.86
• LOG S: -3.03
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 3