4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide

C27H31N7O2S — CID 58662360

IUPAC4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(Nc2cc(N3CCCC3)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C27H31N7O2S/c1-32(17-13-21-6-2-3-14-28-21)37(35,36)23-11-9-22(10-12-23)29-27-19-25(33-15-4-5-16-33)30-26-18-24(20-7-8-20)31-34(26)27/h2-3,6,9-12,14,18-20,29H,4-5,7-8,13,15-17H2,1H3
InChIKeyXPDFKFOJAJJSTN-UHFFFAOYSA-N
MW517.66 g/mol
LogP4.21
Rot. Bonds9

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

4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 58662360) has the molecular formula C27H31N7O2S and a molecular weight of 517.66 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID58662360
Molecular FormulaC27H31N7O2S
Molecular Weight517.66 g/mol
Exact Mass517.23
IUPAC Name4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
SMILESCN(CCc1ccccn1)S(=O)(=O)c1ccc(Nc2cc(N3CCCC3)nc3cc(C4CC4)nn23)cc1
InChIInChI=1S/C27H31N7O2S/c1-32(17-13-21-6-2-3-14-28-21)37(35,36)23-11-9-22(10-12-23)29-27-19-25(33-15-4-5-16-33)30-26-18-24(20-7-8-20)31-34(26)27/h2-3,6,9-12,14,18-20,29H,4-5,7-8,13,15-17H2,1H3
InChIKeyXPDFKFOJAJJSTN-UHFFFAOYSA-N
XLogP4.21
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.66
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide with MolForge

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Related Compounds

4-[(2-cyclopropyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 58662375
N-methyl-4-morpholin-4-ylsulfonyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 55353222
3-(4-cyclopentylsulfonylphenyl)-1-methyl-1-(2-pyridin-2-ylethyl)urea
CID 86988743
3-chloro-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 2814680
N-methyl-N-(2-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 60548735
4-fluoro-N-methyl-N-(2-pyridin-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 52746563
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-[methyl(2-pyridin-2-ylethyl)amino]acetamide
CID 112799751
N,3-dimethyl-N-(2-pyridin-2-ylethyl)triazole-4-sulfonamide
CID 91650887
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
N,4-dimethyl-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]benzenesulfonamide
CID 47090107
2-bromo-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104193
(3S)-1-(cyclopentanecarbonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidine-3-sulfonamide
CID 97348237

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide (CID 58662360) is 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is CN(CCc1ccccn1)S(=O)(=O)c1ccc(Nc2cc(N3CCCC3)nc3cc(C4CC4)nn23)cc1.
What is the InChIKey of 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is XPDFKFOJAJJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2S/c1-32(17-13-21-6-2-3-14-28-21)37(35,36)23-11-9-22(10-12-23)29-27-19-25(33-15-4-5-16-33)30-26-18-24(20-7-8-20)31-34(26)27/h2-3,6,9-12,14,18-20,29H,4-5,7-8,13,15-17H2,1H3.
What are the key properties of 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide?
4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 517.66 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-5-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-N-methyl-N-(2-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 58662360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).