6-chloro-N,N-dimethyl-3-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 357532
• Molecular Formular: C21H24ClN5O
• Molecular Mass: 397.90116
• Monoisotopic Mass: 397.16693809
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN1CCC(CC1)c1ccncc1)C(=O)N(C)C
• Canonical SMILES: Clc1ccc2n(c1)c(CN1CCC(CC1)c1ccncc1)c(n2)C(=O)N(C)C
• InChI: InChI=1S/C21H24ClN5O/c1-25(2)21(28)20-18(27-13-17(22)3-4-19(27)24-20)14-26-11-7-16(8-12-26)15-5-9-23-10-6-15/h3-6,9-10,13,16H,7-8,11-12,14H2,1-2H3
• InChIKey: FUDMYQBFJUKTBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethyl-3-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N,N-dimethyl-3-{[4-(pyridin-4-yl)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N,N-dimethyl-3-{[4-(4-pyridinyl)-1-piperidinyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.018582676
• LogD (pH = 7.4): 1.6827444
• Log P: 1.9623516
• Molar Refractivity: 112.2899 cm^3
• Polarizability: 42.15148 Å^3
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.67
• LOG S: -3.5
• Polar Surface Area: 53.74 Å^2
• Rotatable Bonds: 4