{[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine

• ChemBase ID: 617696
• Molecular Formular: C18H19ClN6O
• Molecular Mass: 370.83606
• Monoisotopic Mass: 370.13088694
• SMILES: c1(c(nn(c1Cl)C)c1noc(c1)C)CN(Cc1n2c(nc1)cccc2)C
• Canonical SMILES: CN(Cc1cnc2n1cccc2)Cc1c(Cl)n(nc1c1noc(c1)C)C
• InChI: InChI=1S/C18H19ClN6O/c1-12-8-15(22-26-12)17-14(18(19)24(3)21-17)11-23(2)10-13-9-20-16-6-4-5-7-25(13)16/h4-9H,10-11H2,1-3H3
• InChIKey: UNOJKLZQVMJABK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)-1H-pyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• IUPAC Traditional name: {[5-chloro-1-methyl-3-(5-methyl-1,2-oxazol-3-yl)pyrazol-4-yl]methyl}({imidazo[1,2-a]pyridin-3-ylmethyl})methylamine
• Synonyms: 1-[5-chloro-1-methyl-3-(5-methylisoxazol-3-yl)-1H-pyrazol-4-yl]-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6064584
• LogD (pH = 7.4): 1.9587126
• Log P: 2.0753686
• Molar Refractivity: 113.6624 cm^3
• Polarizability: 39.11806 Å^3
• Polar Surface Area: 64.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.87
• LOG S: -2.49
• Polar Surface Area: 64.39 Å^2
• Rotatable Bonds: 5