N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 543725
• Molecular Formular: C17H18N4O3
• Molecular Mass: 326.34982
• Monoisotopic Mass: 326.13789046
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCc1nc2c(o1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)nc(o2)CNC(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C17H18N4O3/c1-23-11-5-6-15-13(8-11)20-16(24-15)10-18-17(22)12-9-19-21-7-3-2-4-14(12)21/h5-6,8-9H,2-4,7,10H2,1H3,(H,18,22)
• InChIKey: RYTSRAWNLALSHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.335037
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1550902
• LogD (pH = 7.4): 1.1551287
• Log P: 1.1551297
• Molar Refractivity: 98.5475 cm^3
• Polarizability: 33.916386 Å^3
• Polar Surface Area: 82.18 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: 1.95
• LOG S: -3.25
• Polar Surface Area: 82.18 Å^2
• Rotatable Bonds: 4