{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[1-(pyridin-3-yl)propan-2-yl]amine

• ChemBase ID: 764997
• Molecular Formular: C23H29N5O
• Molecular Mass: 391.50926
• Monoisotopic Mass: 391.23721057
• SMILES: c1(nc2n(c1CNC(Cc1cnccc1)C)cccc2C)C(=O)N1CCCCC1
• Canonical SMILES: CC(Cc1cccnc1)NCc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C23H29N5O/c1-17-8-7-13-28-20(16-25-18(2)14-19-9-6-10-24-15-19)21(26-22(17)28)23(29)27-11-4-3-5-12-27/h6-10,13,15,18,25H,3-5,11-12,14,16H2,1-2H3
• InChIKey: QRXSSLYWWXUFSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[1-(pyridin-3-yl)propan-2-yl]amine
• IUPAC Traditional name: {[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}[1-(pyridin-3-yl)propan-2-yl]amine
• Synonyms: N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1-(3-pyridinyl)-2-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.46290419
• LogD (pH = 7.4): 1.1161548
• Log P: 2.4975665
• Molar Refractivity: 116.3744 cm^3
• Polarizability: 43.878323 Å^3
• Polar Surface Area: 62.53 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: 1.98
• LOG S: -3.73
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6