N-(2-methoxypyridin-3-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide

• ChemBase ID: 668086
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: n12nc(cc1CNCC2)CCC(=O)Nc1c(nccc1)OC
• Canonical SMILES: COc1ncccc1NC(=O)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C15H19N5O2/c1-22-15-13(3-2-6-17-15)18-14(21)5-4-11-9-12-10-16-7-8-20(12)19-11/h2-3,6,9,16H,4-5,7-8,10H2,1H3,(H,18,21)
• InChIKey: SMWUTJQGWODWOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxypyridin-3-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-(2-methoxypyridin-3-yl)-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-(2-methoxy-3-pyridinyl)-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.533426
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.7950567
• LogD (pH = 7.4): -0.120965645
• Log P: 0.31757954
• Molar Refractivity: 94.4998 cm^3
• Polarizability: 31.336395 Å^3
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.12
• LOG S: -2.81
• Polar Surface Area: 81.07 Å^2
• Rotatable Bonds: 5