{1-[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine

• ChemBase ID: 849260
• Molecular Formular: C18H22FN7O
• Molecular Mass: 371.4119832
• Monoisotopic Mass: 371.18698658
• SMILES: c1(c(n2c(n1)cccc2C)F)C(=O)N1CCC(Cn2nnc(c2)CN)CC1
• Canonical SMILES: NCc1nnn(c1)CC1CCN(CC1)C(=O)c1nc2n(c1F)c(C)ccc2
• InChI: InChI=1S/C18H22FN7O/c1-12-3-2-4-15-21-16(17(19)26(12)15)18(27)24-7-5-13(6-8-24)10-25-11-14(9-20)22-23-25/h2-4,11,13H,5-10,20H2,1H3
• InChIKey: ZXZDRXXIDPOJQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1H-1,2,3-triazol-4-yl}methanamine
• IUPAC Traditional name: {1-[(1-{3-fluoro-5-methylimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)methyl]-1,2,3-triazol-4-yl}methanamine
• Synonyms: 1-[1-({1-[(3-fluoro-5-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]piperidin-4-yl}methyl)-1H-1,2,3-triazol-4-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.366491
• LogD (pH = 7.4): -0.7013289
• Log P: 0.19912735
• Molar Refractivity: 111.3074 cm^3
• Polarizability: 36.76233 Å^3
• Polar Surface Area: 94.34 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: -0.42
• LOG S: -2.86
• Polar Surface Area: 94.34 Å^2
• Rotatable Bonds: 4