3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

C22H22N6O2S — CID 118470588

IUPAC3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4cnn(C)c4)c3)c2)n1
InChIInChI=1S/C22H22N6O2S/c1-14-7-8-18(31(29,30)27-21-6-4-5-15(2)26-21)10-19(14)16-9-20(22(23)24-11-16)17-12-25-28(3)13-17/h4-13H,1-3H3,(H2,23,24)(H,26,27)
InChIKeyAFBWDMCJTDLZBM-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.54
Rot. Bonds5

About 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide

3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 118470588) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID118470588
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4cnn(C)c4)c3)c2)n1
InChIInChI=1S/C22H22N6O2S/c1-14-7-8-18(31(29,30)27-21-6-4-5-15(2)26-21)10-19(14)16-9-20(22(23)24-11-16)17-12-25-28(3)13-17/h4-13H,1-3H3,(H2,23,24)(H,26,27)
InChIKeyAFBWDMCJTDLZBM-UHFFFAOYSA-N
XLogP3.54
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[4-[5,5-Dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide
CID 145988090
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
N-(4-methyl-2-pyridinyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914793
4-[(4-Pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide
CID 10172478
5-(4-Methylsulfonylphenyl)-3-(4-pyrazol-1-ylphenyl)pyridin-2-amine
CID 53311396
US9156811, Ddd85624
CID 57393582
US9156811, Ddd87763
CID 58561340
N-(2-methyl-4-pyridinyl)-5-(3-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 59186216
N-[2-(4-methylpyridin-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 90286007
US10112926, Example 60
CID 118470060
US10112926, Example 4.4
CID 118470198
3-[5-amino-6-(2-methyltriazol-4-yl)pyrazin-2-yl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 118470300

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide (CID 118470588) is 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is Cc1cccc(NS(=O)(=O)c2ccc(C)c(-c3cnc(N)c(-c4cnn(C)c4)c3)c2)n1.
What is the InChIKey of 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is AFBWDMCJTDLZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-14-7-8-18(31(29,30)27-21-6-4-5-15(2)26-21)10-19(14)16-9-20(22(23)24-11-16)17-12-25-28(3)13-17/h4-13H,1-3H3,(H2,23,24)(H,26,27).
What are the key properties of 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide?
3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 434.53 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-4-methyl-N-(6-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 118470588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).