3-fluoro-N,7-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 658307
• Molecular Formular: C21H23FN4O
• Molecular Mass: 366.4319232
• Monoisotopic Mass: 366.1855896
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N(CC1CN(c2ccccc2)CC1)C
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N(CC1CCN(C1)c1ccccc1)C
• InChI: InChI=1S/C21H23FN4O/c1-15-8-11-26-18(12-15)23-19(20(26)22)21(27)24(2)13-16-9-10-25(14-16)17-6-4-3-5-7-17/h3-8,11-12,16H,9-10,13-14H2,1-2H3
• InChIKey: GZGUCWDGNYJDBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N,7-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N,7-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-N,7-dimethyl-N-[(1-phenyl-3-pyrrolidinyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 38.610172 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.812204
• LogD (pH = 7.4): 2.9615166
• Log P: 2.9637947
• Molar Refractivity: 105.7161 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 0
• Log P: 2.13
• LOG S: -3.69