N,8-dimethyl-N-(2-phenylethyl)-3-({[4-(1H-pyrazol-1-yl)butan-2-yl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 778893
• Molecular Formular: C26H32N6O
• Molecular Mass: 444.57188
• Monoisotopic Mass: 444.26375967
• SMILES: c1(nc2n(c1CNC(CCn1nccc1)C)cccc2C)C(=O)N(CCc1ccccc1)C
• Canonical SMILES: CC(CCn1cccn1)NCc1c(nc2n1cccc2C)C(=O)N(CCc1ccccc1)C
• InChI: InChI=1S/C26H32N6O/c1-20-9-7-16-32-23(19-27-21(2)12-18-31-15-8-14-28-31)24(29-25(20)32)26(33)30(3)17-13-22-10-5-4-6-11-22/h4-11,14-16,21,27H,12-13,17-19H2,1-3H3
• InChIKey: YTYSTXXHJUMOIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,8-dimethyl-N-(2-phenylethyl)-3-({[4-(1H-pyrazol-1-yl)butan-2-yl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N,8-dimethyl-N-(2-phenylethyl)-3-({[4-(pyrazol-1-yl)butan-2-yl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N,8-dimethyl-3-({[1-methyl-3-(1H-pyrazol-1-yl)propyl]amino}methyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.1691068
• LogD (pH = 7.4): 1.7123704
• Log P: 3.1544135
• Molar Refractivity: 144.2471 cm^3
• Polarizability: 50.066715 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.89
• LOG S: -5.7
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 10