N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrrolidin-3-yl)benzamide

• ChemBase ID: 350699
• Molecular Formular: C20H22N4O
• Molecular Mass: 334.41488
• Monoisotopic Mass: 334.17936134
• SMILES: n12c(nc(c1)CNC(=O)c1cc(C3CNCC3)ccc1)cccc2C
• Canonical SMILES: O=C(c1cccc(c1)C1CNCC1)NCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C20H22N4O/c1-14-4-2-7-19-23-18(13-24(14)19)12-22-20(25)16-6-3-5-15(10-16)17-8-9-21-11-17/h2-7,10,13,17,21H,8-9,11-12H2,1H3,(H,22,25)
• InChIKey: KIXZUWPCCYXNPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrrolidin-3-yl)benzamide
• IUPAC Traditional name: N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3-(pyrrolidin-3-yl)benzamide
• Synonyms: N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-pyrrolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.819553
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.2276626
• LogD (pH = 7.4): -1.4770585
• Log P: 1.5778221
• Molar Refractivity: 99.8946 cm^3
• Polarizability: 37.400043 Å^3
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.99
• LOG S: -3.34
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 4