N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 841758
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC(c1n(ccn1)C)C1CC1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NC(c1nccn1C)C1CC1
• InChI: InChI=1S/C17H19N5O/c1-11-9-22-10-13(5-6-14(22)19-11)17(23)20-15(12-3-4-12)16-18-7-8-21(16)2/h5-10,12,15H,3-4H2,1-2H3,(H,20,23)
• InChIKey: CWFUTAWJIMVDRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[cyclopropyl(1-methylimidazol-2-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[cyclopropyl(1-methyl-1H-imidazol-2-yl)methyl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.416783
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3000063
• LogD (pH = 7.4): 0.82487243
• Log P: 0.86061513
• Molar Refractivity: 87.9814 cm^3
• Polarizability: 32.69978 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.01
• LOG S: -2.32
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4