N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 580087
• Molecular Formular: C26H32N4O
• Molecular Mass: 416.55848
• Monoisotopic Mass: 416.25761166
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN(C1c2c(CCC1)cccc2)C)C(=O)N1CCCCC1
• Canonical SMILES: CN(C1CCCc2c1cccc2)Cc1c(nc2n1cccc2C)C(=O)N1CCCCC1
• InChI: InChI=1S/C26H32N4O/c1-19-10-9-17-30-23(24(27-25(19)30)26(31)29-15-6-3-7-16-29)18-28(2)22-14-8-12-20-11-4-5-13-21(20)22/h4-5,9-11,13,17,22H,3,6-8,12,14-16,18H2,1-2H3
• InChIKey: YRHBINDZPIYLBV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: N-methyl-N-{[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: N-methyl-N-{[8-methyl-2-(1-piperidinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-1,2,3,4-tetrahydro-1-naphthalenamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7334403
• LogD (pH = 7.4): 3.508006
• Log P: 4.3818436
• Molar Refractivity: 126.834 cm^3
• Polarizability: 47.73772 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.28
• LOG S: -3.58
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4