4-(propan-2-yl)-2-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1,3-thiazole

• ChemBase ID: 498911
• Molecular Formular: C18H23N5O2S
• Molecular Mass: 373.47252
• Monoisotopic Mass: 373.157246
• SMILES: c1(nn2c(c1)CN(C(=O)c1nc(cs1)C(C)C)CC2)C(=O)N1CCCC1
• Canonical SMILES: O=C(c1scc(n1)C(C)C)N1CCn2c(C1)cc(n2)C(=O)N1CCCC1
• InChI: InChI=1S/C18H23N5O2S/c1-12(2)15-11-26-16(19-15)18(25)22-7-8-23-13(10-22)9-14(20-23)17(24)21-5-3-4-6-21/h9,11-12H,3-8,10H2,1-2H3
• InChIKey: OEHBNALLVZRBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)-2-[2-(pyrrolidine-1-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1,3-thiazole
• IUPAC Traditional name: 4-isopropyl-2-[2-(pyrrolidine-1-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carbonyl]-1,3-thiazole
• Synonyms: 5-[(4-isopropyl-1,3-thiazol-2-yl)carbonyl]-2-(pyrrolidin-1-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6729167
• LogD (pH = 7.4): 1.6729177
• Log P: 1.6729177
• Molar Refractivity: 110.8736 cm^3
• Polarizability: 37.160137 Å^3
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.9
• LOG S: -2.69
• Polar Surface Area: 71.33 Å^2
• Rotatable Bonds: 3