1-{1-[(1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol

• ChemBase ID: 757135
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)N1CCC(Cn2nnc(c2)C(O)C)CC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)N1CCC(CC1)Cn1nnc(c1)C(O)C
• InChI: InChI=1S/C19H24N6O2/c1-13-3-6-24-11-17(20-18(24)9-13)19(27)23-7-4-15(5-8-23)10-25-12-16(14(2)26)21-22-25/h3,6,9,11-12,14-15,26H,4-5,7-8,10H2,1-2H3
• InChIKey: JZPIYEZGKAEMQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-[(1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
• IUPAC Traditional name: 1-{1-[(1-{7-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1,2,3-triazol-4-yl}ethanol
• Synonyms: 1-[1-({1-[(7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-4-piperidinyl}methyl)-1H-1,2,3-triazol-4-yl]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.818934
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.152366
• LogD (pH = 7.4): 1.1571064
• Log P: 1.1571673
• Molar Refractivity: 113.8644 cm^3
• Polarizability: 37.99443 Å^3
• Polar Surface Area: 88.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.26
• LOG S: -2.98
• Polar Surface Area: 88.55 Å^2
• Rotatable Bonds: 4