2-(piperidine-1-carbonyl)-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazine

• ChemBase ID: 484552
• Molecular Formular: C17H17N5O
• Molecular Mass: 307.34978
• Monoisotopic Mass: 307.14331019
• SMILES: n12c(c3nc(C(=O)N4CCCCC4)cnc3)cccc1ccn2
• Canonical SMILES: O=C(c1cncc(n1)c1cccc2n1ncc2)N1CCCCC1
• InChI: InChI=1S/C17H17N5O/c23-17(21-9-2-1-3-10-21)15-12-18-11-14(20-15)16-6-4-5-13-7-8-19-22(13)16/h4-8,11-12H,1-3,9-10H2
• InChIKey: HZRCSNAQJPRTPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidine-1-carbonyl)-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazine
• IUPAC Traditional name: 2-(piperidine-1-carbonyl)-6-{pyrazolo[1,5-a]pyridin-7-yl}pyrazine
• Synonyms: 7-[6-(piperidin-1-ylcarbonyl)pyrazin-2-yl]pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5550497
• LogD (pH = 7.4): 1.5551229
• Log P: 1.5551238
• Molar Refractivity: 96.9476 cm^3
• Polarizability: 34.43494 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.44
• LOG S: -2.67
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 2