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

C23H22FN5O2S — CID 58662310

IUPAC4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C23H22FN5O2S/c1-28(2)32(30,31)17-11-9-16(10-12-17)25-22-14-21(18-5-3-4-6-19(18)24)26-23-13-20(15-7-8-15)27-29(22)23/h3-6,9-15,25H,7-8H2,1-2H3
InChIKeyZDPRGKRIPGOGNM-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.41
Rot. Bonds6

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

4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 58662310) has the molecular formula C23H22FN5O2S and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID58662310
Molecular FormulaC23H22FN5O2S
Molecular Weight451.53 g/mol
Exact Mass451.15
IUPAC Name4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C23H22FN5O2S/c1-28(2)32(30,31)17-11-9-16(10-12-17)25-22-14-21(18-5-3-4-6-19(18)24)26-23-13-20(15-7-8-15)27-29(22)23/h3-6,9-15,25H,7-8H2,1-2H3
InChIKeyZDPRGKRIPGOGNM-UHFFFAOYSA-N
XLogP4.41
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide (CID 58662310) is 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)cc1.
What is the InChIKey of 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is ZDPRGKRIPGOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2S/c1-28(2)32(30,31)17-11-9-16(10-12-17)25-22-14-21(18-5-3-4-6-19(18)24)26-23-13-20(15-7-8-15)27-29(22)23/h3-6,9-15,25H,7-8H2,1-2H3.
What are the key properties of 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 451.53 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 58662310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).