N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 437550
• Molecular Formular: C22H32N4O3
• Molecular Mass: 400.51448
• Monoisotopic Mass: 400.2474409
• SMILES: c1(C(=O)N(CC2OCCC2)CC2CCN(CC2)CCOC)cn2c(ncc2)cc1
• Canonical SMILES: COCCN1CCC(CC1)CN(C(=O)c1ccc2n(c1)ccn2)CC1CCCO1
• InChI: InChI=1S/C22H32N4O3/c1-28-14-12-24-9-6-18(7-10-24)15-26(17-20-3-2-13-29-20)22(27)19-4-5-21-23-8-11-25(21)16-19/h4-5,8,11,16,18,20H,2-3,6-7,9-10,12-15,17H2,1H3
• InChIKey: HIFCJNUVPWHQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-(tetrahydrofuran-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -2.8164656
• LogD (pH = 7.4): -0.54888403
• Log P: 0.91656226
• Molar Refractivity: 114.3755 cm^3
• Polarizability: 43.364483 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.23
• LOG S: -3.63
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 8