N-(pyridin-2-ylmethyl)-5-[2-(pyrrolidin-1-yl)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 495552
• Molecular Formular: C19H24N6O2
• Molecular Mass: 368.43286
• Monoisotopic Mass: 368.19607404
• SMILES: c1(nn2c(c1)CN(C(=O)CN1CCCC1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)CN1CCCC1
• InChI: InChI=1S/C19H24N6O2/c26-18(14-23-7-3-4-8-23)24-9-10-25-16(13-24)11-17(22-25)19(27)21-12-15-5-1-2-6-20-15/h1-2,5-6,11H,3-4,7-10,12-14H2,(H,21,27)
• InChIKey: FEFKAKRCIAXUGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(pyridin-2-ylmethyl)-5-[2-(pyrrolidin-1-yl)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-(pyridin-2-ylmethyl)-5-[2-(pyrrolidin-1-yl)acetyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-(pyridin-2-ylmethyl)-5-(pyrrolidin-1-ylacetyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901249
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.6552649
• LogD (pH = 7.4): -0.90127826
• Log P: -0.33639163
• Molar Refractivity: 112.1904 cm^3
• Polarizability: 38.38896 Å^3
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.96
• LOG S: -1.08
• Polar Surface Area: 83.36 Å^2
• Rotatable Bonds: 5