4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

C22H22N6O2S — CID 58662375

IUPAC4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccn3)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C22H22N6O2S/c1-27(2)31(29,30)17-10-8-16(9-11-17)24-21-14-20(18-5-3-4-12-23-18)25-22-13-19(15-6-7-15)26-28(21)22/h3-5,8-15,24H,6-7H2,1-2H3
InChIKeyOIUNQFVNAJBYDP-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.66
Rot. Bonds6

About 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide

4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 58662375) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID58662375
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccn3)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C22H22N6O2S/c1-27(2)31(29,30)17-10-8-16(9-11-17)24-21-14-20(18-5-3-4-12-23-18)25-22-13-19(15-6-7-15)26-28(21)22/h3-5,8-15,24H,6-7H2,1-2H3
InChIKeyOIUNQFVNAJBYDP-UHFFFAOYSA-N
XLogP3.66
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 58662360
4-[(3-chloro-2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 11719694
4-[(5-chloro-2-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58662247
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240
4-[(3-cyano-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide;ethane
CID 143251460
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-[4-[(2-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]phenyl]methanone
CID 58662387
3-tert-butyl-N-(2-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)benzenesulfonamide
CID 118200772
N,N-dimethyl-4-[[5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzenesulfonamide
CID 59186272
4-[[3-bromo-5-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 11533558
N-cyclopentyl-7-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53175354
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 119103032
4-[[3-chloro-5-[(3R)-pyrrolidin-3-yl]oxypyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 58938429

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide (CID 58662375) is 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccn3)nc3cc(C4CC4)nn23)cc1.
What is the InChIKey of 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OIUNQFVNAJBYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-27(2)31(29,30)17-10-8-16(9-11-17)24-21-14-20(18-5-3-4-12-23-18)25-22-13-19(15-6-7-15)26-28(21)22/h3-5,8-15,24H,6-7H2,1-2H3.
What are the key properties of 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide?
4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 58662375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).