1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide

C22H24N8O2S — CID 122317325

IUPAC1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C22H24N8O2S/c1-14-22(15(2)30(4)28-14)33(31,32)29-18-10-8-17(9-11-18)26-20-13-21(25-16(3)24-20)27-19-7-5-6-12-23-19/h5-13,29H,1-4H3,(H2,23,24,25,26,27)
InChIKeyAVUHXDMUCVLJRL-UHFFFAOYSA-N
MW464.56 g/mol
LogP3.82
Rot. Bonds7

About 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide

1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide (PubChem CID 122317325) has the molecular formula C22H24N8O2S and a molecular weight of 464.56 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide
PubChem CID122317325
Molecular FormulaC22H24N8O2S
Molecular Weight464.56 g/mol
Exact Mass464.17
IUPAC Name1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide
SMILESCc1nc(Nc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C22H24N8O2S/c1-14-22(15(2)30(4)28-14)33(31,32)29-18-10-8-17(9-11-18)26-20-13-21(25-16(3)24-20)27-19-7-5-6-12-23-19/h5-13,29H,1-4H3,(H2,23,24,25,26,27)
InChIKeyAVUHXDMUCVLJRL-UHFFFAOYSA-N
XLogP3.82
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

3,5-dimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-1H-pyrazole-4-sulfonamide
CID 122317317
4-iodo-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122317368
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122317343
1,2-dimethyl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]imidazole-4-sulfonamide
CID 122316115
4-ethoxy-3-fluoro-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzenesulfonamide
CID 122317319
1,3,5-trimethyl-N-(4-phenylmethoxyphenyl)pyrazole-4-sulfonamide
CID 8822238
N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22203236
N-[4-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]acetamide
CID 22774832
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
1-ethyl-3,5-dimethyl-N-[4-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]pyrazole-4-sulfonamide
CID 122290530
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19683754

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide (CID 122317325) is 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide is Cc1nc(Nc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide?
The InChIKey is AVUHXDMUCVLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S/c1-14-22(15(2)30(4)28-14)33(31,32)29-18-10-8-17(9-11-18)26-20-13-21(25-16(3)24-20)27-19-7-5-6-12-23-19/h5-13,29H,1-4H3,(H2,23,24,25,26,27).
What are the key properties of 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide?
1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide has a molecular weight of 464.56 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122317325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).