4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

C23H22ClN5O2S — CID 11719694

IUPAC4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Cl)c(C4CC4)nn23)cc1
InChIInChI=1S/C23H22ClN5O2S/c1-28(2)32(30,31)18-12-10-17(11-13-18)25-20-14-19(15-6-4-3-5-7-15)26-23-21(24)22(16-8-9-16)27-29(20)23/h3-7,10-14,16,25H,8-9H2,1-2H3
InChIKeyCSNOGJBNASSJMP-UHFFFAOYSA-N
MW467.98 g/mol
LogP4.92
Rot. Bonds6

About 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 11719694) has the molecular formula C23H22ClN5O2S and a molecular weight of 467.98 g/mol. Its IUPAC name is 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID11719694
Molecular FormulaC23H22ClN5O2S
Molecular Weight467.98 g/mol
Exact Mass467.12
IUPAC Name4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Cl)c(C4CC4)nn23)cc1
InChIInChI=1S/C23H22ClN5O2S/c1-28(2)32(30,31)18-12-10-17(11-13-18)25-20-14-19(15-6-4-3-5-7-15)26-23-21(24)22(16-8-9-16)27-29(20)23/h3-7,10-14,16,25H,8-9H2,1-2H3
InChIKeyCSNOGJBNASSJMP-UHFFFAOYSA-N
XLogP4.92
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.98
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 11719694) is 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3)nc3c(Cl)c(C4CC4)nn23)cc1.
What is the InChIKey of 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is CSNOGJBNASSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2S/c1-28(2)32(30,31)18-12-10-17(11-13-18)25-20-14-19(15-6-4-3-5-7-15)26-23-21(24)22(16-8-9-16)27-29(20)23/h3-7,10-14,16,25H,8-9H2,1-2H3.
What are the key properties of 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 467.98 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 11719694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).