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

• ChemBase ID: 550008
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(nn2c(c1)CN(C(=O)C1(OCCC1)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(C1(C)CCCO1)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H23N5O3/c1-19(6-4-10-27-19)18(26)23-8-9-24-15(13-23)11-16(22-24)17(25)21-12-14-5-2-3-7-20-14/h2-3,5,7,11H,4,6,8-10,12-13H2,1H3,(H,21,25)
• InChIKey: FOZXQDZZDAGSRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901246
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.22474091
• LogD (pH = 7.4): 0.24247915
• Log P: 0.24271052
• Molar Refractivity: 109.6734 cm^3
• Polarizability: 37.580715 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.43
• LOG S: -0.68
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4