2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}piperidine-1-carboxamide

• ChemBase ID: 478621
• Molecular Formular: C19H25N7O
• Molecular Mass: 367.4481
• Monoisotopic Mass: 367.21205846
• SMILES: c12n(nc(n1)C)cccc2NC(=O)N1C(CCn2c(ncc2)C)CCCC1
• Canonical SMILES: Cc1nc2n(n1)cccc2NC(=O)N1CCCCC1CCn1ccnc1C
• InChI: InChI=1S/C19H25N7O/c1-14-21-18-17(7-5-11-26(18)23-14)22-19(27)25-10-4-3-6-16(25)8-12-24-13-9-20-15(24)2/h5,7,9,11,13,16H,3-4,6,8,10,12H2,1-2H3,(H,22,27)
• InChIKey: VTTCYKLOWAPWSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}piperidine-1-carboxamide
• IUPAC Traditional name: N-{2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl}-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
• Synonyms: 2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-N-(2-methyl[1,2,4]triazolo[1,5-a]pyridin-8-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.103124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2339664
• LogD (pH = 7.4): 2.084418
• Log P: 2.3360581
• Molar Refractivity: 115.768 cm^3
• Polarizability: 38.687607 Å^3
• Polar Surface Area: 80.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.53
• LOG S: -2.33
• Polar Surface Area: 80.35 Å^2
• Rotatable Bonds: 4