N-cyclopentyl-N-({4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 322062
• Molecular Formular: C25H27N5O2S
• Molecular Mass: 461.57918
• Monoisotopic Mass: 461.18854613
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(Cc1ccc(cc1)OCCc1c(ncs1)C)C1CCCC1
• Canonical SMILES: O=C(c1cnn2c1nccc2)N(C1CCCC1)Cc1ccc(cc1)OCCc1scnc1C
• InChI: InChI=1S/C25H27N5O2S/c1-18-23(33-17-27-18)11-14-32-21-9-7-19(8-10-21)16-29(20-5-2-3-6-20)25(31)22-15-28-30-13-4-12-26-24(22)30/h4,7-10,12-13,15,17,20H,2-3,5-6,11,14,16H2,1H3
• InChIKey: XCWKQQYRFZWUQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-({4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-cyclopentyl-N-{4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzyl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.8069468
• LogD (pH = 7.4): 3.8081896
• Log P: 3.8082054
• Molar Refractivity: 139.1964 cm^3
• Polarizability: 48.561066 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.05
• LOG S: -5.86
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 8