6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H24ClF3N4O4S — CID 67273277

IUPAC6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2c(CO)nn3c(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4Cl)cnc23)CCS(=O)(=O)CC1
InChIInChI=1S/C27H24ClF3N4O4S/c1-26(10-12-40(38,39)13-11-26)33-25(37)22-21(15-36)34-35-23(16-6-8-17(9-7-16)27(29,30)31)19(14-32-24(22)35)18-4-2-3-5-20(18)28/h2-9,14,36H,10-13,15H2,1H3,(H,33,37)
InChIKeyULNIYUDTEPVGIC-UHFFFAOYSA-N
MW593.03 g/mol
LogP4.92
Rot. Bonds5

About 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67273277) has the molecular formula C27H24ClF3N4O4S and a molecular weight of 593.03 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67273277
Molecular FormulaC27H24ClF3N4O4S
Molecular Weight593.03 g/mol
Exact Mass592.12
IUPAC Name6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1(NC(=O)c2c(CO)nn3c(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4Cl)cnc23)CCS(=O)(=O)CC1
InChIInChI=1S/C27H24ClF3N4O4S/c1-26(10-12-40(38,39)13-11-26)33-25(37)22-21(15-36)34-35-23(16-6-8-17(9-7-16)27(29,30)31)19(14-32-24(22)35)18-4-2-3-5-20(18)28/h2-9,14,36H,10-13,15H2,1H3,(H,33,37)
InChIKeyULNIYUDTEPVGIC-UHFFFAOYSA-N
XLogP4.92
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.03
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67273277) is 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1(NC(=O)c2c(CO)nn3c(-c4ccc(C(F)(F)F)cc4)c(-c4ccccc4Cl)cnc23)CCS(=O)(=O)CC1.
What is the InChIKey of 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ULNIYUDTEPVGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClF3N4O4S/c1-26(10-12-40(38,39)13-11-26)33-25(37)22-21(15-36)34-35-23(16-6-8-17(9-7-16)27(29,30)31)19(14-32-24(22)35)18-4-2-3-5-20(18)28/h2-9,14,36H,10-13,15H2,1H3,(H,33,37).
What are the key properties of 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 593.03 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-2-(hydroxymethyl)-N-(4-methyl-1,1-dioxothian-4-yl)-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67273277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).