N-cyclopropyl-5-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 775645
• Molecular Formular: C17H18N6O2S
• Molecular Mass: 370.42882
• Monoisotopic Mass: 370.12119485
• SMILES: c1(n2c(nc1C)scc2)C(=O)N1Cc2n(nc(c2)C(=O)NC2CC2)CC1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1c(C)nc2n1ccs2)NC1CC1
• InChI: InChI=1S/C17H18N6O2S/c1-10-14(22-6-7-26-17(22)18-10)16(25)21-4-5-23-12(9-21)8-13(20-23)15(24)19-11-2-3-11/h6-8,11H,2-5,9H2,1H3,(H,19,24)
• InChIKey: JCSVSBPLCDLQPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-{6-methylimidazo[2,1-b][1,3]thiazole-5-carbonyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.16653
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.031668466
• LogD (pH = 7.4): -0.030855404
• Log P: -0.030844962
• Molar Refractivity: 119.092 cm^3
• Polarizability: 35.544285 Å^3
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.43
• LOG S: -2.27
• Polar Surface Area: 84.53 Å^2
• Rotatable Bonds: 3