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

• ChemBase ID: 410798
• Molecular Formular: C26H34N6O
• Molecular Mass: 446.58776
• Monoisotopic Mass: 446.27940974
• SMILES: c1(nc2n(c1)cccc2)C(=O)N(Cc1ccncc1)CC1CCN(C2CCN(CC2)C)CC1
• Canonical SMILES: CN1CCC(CC1)N1CCC(CC1)CN(C(=O)c1nc2n(c1)cccc2)Cc1ccncc1
• InChI: InChI=1S/C26H34N6O/c1-29-14-9-23(10-15-29)30-16-7-22(8-17-30)19-32(18-21-5-11-27-12-6-21)26(33)24-20-31-13-3-2-4-25(31)28-24/h2-6,11-13,20,22-23H,7-10,14-19H2,1H3
• InChIKey: UEMKYCFQVUKPGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl}-N-(pyridin-4-ylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-[(1'-methyl-1,4'-bipiperidin-4-yl)methyl]-N-(4-pyridinylmethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.7344403
• LogD (pH = 7.4): -1.2955965
• Log P: 1.4644059
• Molar Refractivity: 132.6121 cm^3
• Polarizability: 50.35816 Å^3
• Polar Surface Area: 56.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.35
• LOG S: -2.37
• Polar Surface Area: 56.98 Å^2
• Rotatable Bonds: 6