N-cyclopropyl-5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 449745
• Molecular Formular: C19H21N5O3
• Molecular Mass: 367.40174
• Monoisotopic Mass: 367.16443956
• SMILES: c1(nn2c(c1)CN(CCn1c(=O)oc3c1cccc3)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)CCn1c(=O)oc2c1cccc2)NC1CC1
• InChI: InChI=1S/C19H21N5O3/c25-18(20-13-5-6-13)15-11-14-12-22(8-10-24(14)21-15)7-9-23-16-3-1-2-4-17(16)27-19(23)26/h1-4,11,13H,5-10,12H2,(H,20,25)
• InChIKey: UFIGIKLZKLJGLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-[2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[2-(2-oxo-1,3-benzoxazol-3(2H)-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.167992
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.78704995
• LogD (pH = 7.4): 1.036557
• Log P: 1.0408778
• Molar Refractivity: 109.638 cm^3
• Polarizability: 37.317158 Å^3
• Polar Surface Area: 79.7 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: 0.92
• LOG S: -2.66
• Polar Surface Area: 85.3 Å^2
• Rotatable Bonds: 5