6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H19Cl2N5O5S2 — CID 68923160

IUPAC6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c(C#N)nc2c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C25H19Cl2N5O5S2/c1-38(34,35)25-21(24(33)29-16-10-11-39(36,37)13-16)23-30-19(12-28)20(17-4-2-3-5-18(17)27)22(32(23)31-25)14-6-8-15(26)9-7-14/h2-9,16H,10-11,13H2,1H3,(H,29,33)
InChIKeyUCGHQCFDJBBOGD-UHFFFAOYSA-N
MW604.50 g/mol
LogP3.56
Rot. Bonds5

About 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 68923160) has the molecular formula C25H19Cl2N5O5S2 and a molecular weight of 604.50 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID68923160
Molecular FormulaC25H19Cl2N5O5S2
Molecular Weight604.50 g/mol
Exact Mass603.02
IUPAC Name6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c(C#N)nc2c1C(=O)NC1CCS(=O)(=O)C1
InChIInChI=1S/C25H19Cl2N5O5S2/c1-38(34,35)25-21(24(33)29-16-10-11-39(36,37)13-16)23-30-19(12-28)20(17-4-2-3-5-18(17)27)22(32(23)31-25)14-6-8-15(26)9-7-14/h2-9,16H,10-11,13H2,1H3,(H,29,33)
InChIKeyUCGHQCFDJBBOGD-UHFFFAOYSA-N
XLogP3.56
TPSA151.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[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)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 68923160) is 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide is CS(=O)(=O)c1nn2c(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)c(C#N)nc2c1C(=O)NC1CCS(=O)(=O)C1.
What is the InChIKey of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UCGHQCFDJBBOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N5O5S2/c1-38(34,35)25-21(24(33)29-16-10-11-39(36,37)13-16)23-30-19(12-28)20(17-4-2-3-5-18(17)27)22(32(23)31-25)14-6-8-15(26)9-7-14/h2-9,16H,10-11,13H2,1H3,(H,29,33).
What are the key properties of 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 604.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-7-(4-chlorophenyl)-5-cyano-N-(1,1-dioxothiolan-3-yl)-2-methylsulfonylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 68923160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).