N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 672258
• Molecular Formular: C19H24N6OS
• Molecular Mass: 384.49846
• Monoisotopic Mass: 384.17323042
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H24N6OS/c26-18(17-13-24-8-9-27-19(24)21-17)20-11-14-10-16-12-23(6-7-25(16)22-14)15-4-2-1-3-5-15/h8-10,13,15H,1-7,11-12H2,(H,20,26)
• InChIKey: KQHFUFDBFLWPKF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.055362
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2173993
• LogD (pH = 7.4): 1.4916042
• Log P: 1.9763659
• Molar Refractivity: 127.5747 cm^3
• Polarizability: 39.649384 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.01
• LOG S: -4.57
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 4