N-{2-[(3-methylpyridin-4-yl)amino]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 612131
• Molecular Formular: C16H21N5O
• Molecular Mass: 299.37084
• Monoisotopic Mass: 299.17461032
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NCCNc1c(cncc1)C
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NCCNc1ccncc1C
• InChI: InChI=1S/C16H21N5O/c1-12-10-17-6-5-14(12)18-7-8-19-16(22)13-11-20-21-9-3-2-4-15(13)21/h5-6,10-11H,2-4,7-9H2,1H3,(H,17,18)(H,19,22)
• InChIKey: OFBXYHXEBPJBDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(3-methylpyridin-4-yl)amino]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{2-[(3-methylpyridin-4-yl)amino]ethyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-{2-[(3-methylpyridin-4-yl)amino]ethyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.702698
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.24583195
• LogD (pH = 7.4): -0.19341642
• Log P: 0.7387897
• Molar Refractivity: 98.6467 cm^3
• Polarizability: 31.744537 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.62
• LOG S: -2.77
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 5