5-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 572619
• Molecular Formular: C17H17N5S2
• Molecular Mass: 355.48038
• Monoisotopic Mass: 355.09253757
• SMILES: n12c(nc(cc1NCc1nc(sc1)c1sccc1)C(C)C)ccn2
• Canonical SMILES: CC(c1cc(NCc2csc(n2)c2cccs2)n2c(n1)ccn2)C
• InChI: InChI=1S/C17H17N5S2/c1-11(2)13-8-16(22-15(21-13)5-6-19-22)18-9-12-10-24-17(20-12)14-4-3-7-23-14/h3-8,10-11,18H,9H2,1-2H3
• InChIKey: LHPOCMRAJQALFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(propan-2-yl)-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-isopropyl-N-{[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-isopropyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8565178
• LogD (pH = 7.4): 3.8565893
• Log P: 3.85659
• Molar Refractivity: 118.3039 cm^3
• Polarizability: 37.134666 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.17
• LOG S: -5.35
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5