N-[1-(pyrimidin-2-yl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 829697
• Molecular Formular: C17H18N6O
• Molecular Mass: 322.36442
• Monoisotopic Mass: 322.15420923
• SMILES: c1(n2c(ccn2)ccc1)C(=O)NC1CN(c2ncccn2)CCC1
• Canonical SMILES: O=C(c1cccc2n1ncc2)NC1CCCN(C1)c1ncccn1
• InChI: InChI=1S/C17H18N6O/c24-16(15-6-1-5-14-7-10-20-23(14)15)21-13-4-2-11-22(12-13)17-18-8-3-9-19-17/h1,3,5-10,13H,2,4,11-12H2,(H,21,24)
• InChIKey: PVPWSHISQHWXOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrimidin-2-yl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[1-(pyrimidin-2-yl)piperidin-3-yl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.770559
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6258793
• LogD (pH = 7.4): 1.6280773
• Log P: 1.6281054
• Molar Refractivity: 102.1696 cm^3
• Polarizability: 34.21666 Å^3
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -3.01
• Polar Surface Area: 75.42 Å^2
• Rotatable Bonds: 3