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

• ChemBase ID: 437395
• Molecular Formular: C22H26ClN5O2
• Molecular Mass: 427.92714
• Monoisotopic Mass: 427.17750278
• SMILES: c1(nc2n(c1CNCc1ccc(N3CCOCC3)cc1)cc(cc2)Cl)C(=O)N(C)C
• Canonical SMILES: Clc1ccc2n(c1)c(CNCc1ccc(cc1)N1CCOCC1)c(n2)C(=O)N(C)C
• InChI: InChI=1S/C22H26ClN5O2/c1-26(2)22(29)21-19(28-15-17(23)5-8-20(28)25-21)14-24-13-16-3-6-18(7-4-16)27-9-11-30-12-10-27/h3-8,15,24H,9-14H2,1-2H3
• InChIKey: LWJYVOXRWFCGGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethyl-3-[({[4-(morpholin-4-yl)phenyl]methyl}amino)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N,N-dimethyl-3-[({[4-(morpholin-4-yl)phenyl]methyl}amino)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N,N-dimethyl-3-({[4-(4-morpholinyl)benzyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.39770076
• LogD (pH = 7.4): 1.3359585
• Log P: 2.1398034
• Molar Refractivity: 120.4822 cm^3
• Polarizability: 44.96506 Å^3
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -4.39
• Polar Surface Area: 62.11 Å^2
• Rotatable Bonds: 6