N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenyl-1H-pyrrole-2-carboxamide

• ChemBase ID: 504676
• Molecular Formular: C18H18N4O
• Molecular Mass: 306.36172
• Monoisotopic Mass: 306.14806122
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1[nH]c(cc1)c1ccccc1
• Canonical SMILES: O=C(c1ccc([nH]1)c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H18N4O/c23-18(21-17-12-19-16-8-4-5-11-22(16)17)15-10-9-14(20-15)13-6-2-1-3-7-13/h1-3,6-7,9-10,12,20H,4-5,8,11H2,(H,21,23)
• InChIKey: ZRINOCISMRMQLC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenyl-1H-pyrrole-2-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-phenyl-1H-pyrrole-2-carboxamide
• Synonyms: 5-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1H-pyrrole-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.031063
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.9635401
• LogD (pH = 7.4): 2.5936358
• Log P: 2.6213758
• Molar Refractivity: 90.2833 cm^3
• Polarizability: 34.89548 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.88
• LOG S: -3.04
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 3