1-ethyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

• ChemBase ID: 696607
• Molecular Formular: C17H22N4O
• Molecular Mass: 298.38278
• Monoisotopic Mass: 298.17936134
• SMILES: c1(C(=O)N2C(c3n(ccc3)CC2)CC)c2n(nc1)CCCC2
• Canonical SMILES: CCC1N(CCn2c1ccc2)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C17H22N4O/c1-2-14-16-7-5-8-19(16)10-11-20(14)17(22)13-12-18-21-9-4-3-6-15(13)21/h5,7-8,12,14H,2-4,6,9-11H2,1H3
• InChIKey: UWBJFBANSNARAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1-ethyl-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-1H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 3-[(1-ethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.107787
• LogD (pH = 7.4): 2.1078243
• Log P: 2.1078248
• Molar Refractivity: 97.4957 cm^3
• Polarizability: 32.232716 Å^3
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.46
• LOG S: -3.48
• Polar Surface Area: 43.06 Å^2
• Rotatable Bonds: 2