N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 848992
• Molecular Formular: C19H17N5OS
• Molecular Mass: 363.43618
• Monoisotopic Mass: 363.11538119
• SMILES: c1(nn2c(c1)nccc2)C(=O)N(Cc1sc(cc1)C)Cc1ncccc1
• Canonical SMILES: Cc1ccc(s1)CN(C(=O)c1cc2n(n1)cccn2)Cc1ccccn1
• InChI: InChI=1S/C19H17N5OS/c1-14-6-7-16(26-14)13-23(12-15-5-2-3-8-20-15)19(25)17-11-18-21-9-4-10-24(18)22-17/h2-11H,12-13H2,1H3
• InChIKey: WAEBLAYGWJTWPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[(5-methyl-2-thienyl)methyl]-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.190645
• LogD (pH = 7.4): 3.208076
• Log P: 3.2083032
• Molar Refractivity: 110.7657 cm^3
• Polarizability: 37.625473 Å^3
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.68
• LOG S: -1.13
• Polar Surface Area: 63.39 Å^2
• Rotatable Bonds: 5