N'1-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}cyclopropane-1,1-dicarboxamide

• ChemBase ID: 852104
• Molecular Formular: C12H16N4O2
• Molecular Mass: 248.28104
• Monoisotopic Mass: 248.12732577
• SMILES: C1(C(=O)Nc2n3c(nc2)CCCC3)(CC1)C(=O)N
• Canonical SMILES: O=C(C1(CC1)C(=O)N)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H16N4O2/c13-10(17)12(4-5-12)11(18)15-9-7-14-8-3-1-2-6-16(8)9/h7H,1-6H2,(H2,13,17)(H,15,18)
• InChIKey: CXAQTNDGPGNMNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.41918
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.7539907
• LogD (pH = 7.4): -0.10913197
• Log P: -0.0793499
• Molar Refractivity: 65.4024 cm^3
• Polarizability: 24.576431 Å^3
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: -1.19
• LOG S: -1.3
• Polar Surface Area: 90.01 Å^2
• Rotatable Bonds: 3