6-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 733518
• Molecular Formular: C19H22N4O3S
• Molecular Mass: 386.46798
• Monoisotopic Mass: 386.14126158
• SMILES: c1(c2n(nc1)cc(cn2)CCO)C(=O)N(Cc1cscc1)CC1OCCC1
• Canonical SMILES: OCCc1cnc2n(c1)ncc2C(=O)N(Cc1cscc1)CC1CCCO1
• InChI: InChI=1S/C19H22N4O3S/c24-5-3-14-8-20-18-17(9-21-23(18)11-14)19(25)22(10-15-4-7-27-13-15)12-16-2-1-6-26-16/h4,7-9,11,13,16,24H,1-3,5-6,10,12H2
• InChIKey: HHBPRNQIIWCMAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: 6-(2-hydroxyethyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: 6-(2-hydroxyethyl)-N-(tetrahydrofuran-2-ylmethyl)-N-(3-thienylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.726041
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.3957773
• LogD (pH = 7.4): 1.3957806
• Log P: 1.3957806
• Molar Refractivity: 114.1894 cm^3
• Polarizability: 38.774796 Å^3
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.39
• LOG S: -3.21
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 7