N-cyclopropyl-5-{2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 656186
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c1(nn2c(c1)CN(C(=O)C(n1c(ncc1)C(C)C)C)CC2)C(=O)NC1CC1
• Canonical SMILES: O=C(C(n1ccnc1C(C)C)C)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C19H26N6O2/c1-12(2)17-20-6-7-24(17)13(3)19(27)23-8-9-25-15(11-23)10-16(22-25)18(26)21-14-4-5-14/h6-7,10,12-14H,4-5,8-9,11H2,1-3H3,(H,21,26)
• InChIKey: FZQLDATVLHSGDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-{2-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-[2-(2-isopropylimidazol-1-yl)propanoyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 111.9845 cm^3
• Polarizability: 38.199512 Å^3
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.166562
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.008049386
• LogD (pH = 7.4): 0.8261263
• Log P: 0.95873636

供应商提供(Chembridge)

• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 0.31
• LOG S: -3.48