4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

C24H23N9O2S — CID 74982359

IUPAC4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)n1
InChIInChI=1S/C24H23N9O2S/c1-15-10-12-26-24(27-15)32-36(34,35)19-7-4-17(5-8-19)29-23-25-13-11-22(30-23)28-18-6-9-20-16(2)33(3)31-21(20)14-18/h4-14H,1-3H3,(H,26,27,32)(H2,25,28,29,30)
InChIKeyGZLNODDUMXOBAN-UHFFFAOYSA-N
MW501.58 g/mol
LogP4.06
Rot. Bonds7

About 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 74982359) has the molecular formula C24H23N9O2S and a molecular weight of 501.58 g/mol. Its IUPAC name is 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID74982359
Molecular FormulaC24H23N9O2S
Molecular Weight501.58 g/mol
Exact Mass501.17
IUPAC Name4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)n1
InChIInChI=1S/C24H23N9O2S/c1-15-10-12-26-24(27-15)32-36(34,35)19-7-4-17(5-8-19)29-23-25-13-11-22(30-23)28-18-6-9-20-16(2)33(3)31-21(20)14-18/h4-14H,1-3H3,(H,26,27,32)(H2,25,28,29,30)
InChIKeyGZLNODDUMXOBAN-UHFFFAOYSA-N
XLogP4.06
TPSA139.61 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.58
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CID 74982359) is 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(Nc3nccc(Nc4ccc5c(C)n(C)nc5c4)n3)cc2)n1.
What is the InChIKey of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is GZLNODDUMXOBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2S/c1-15-10-12-26-24(27-15)32-36(34,35)19-7-4-17(5-8-19)29-23-25-13-11-22(30-23)28-18-6-9-20-16(2)33(3)31-21(20)14-18/h4-14H,1-3H3,(H,26,27,32)(H2,25,28,29,30).
What are the key properties of 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 501.58 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2,3-dimethylindazol-6-yl)amino]pyrimidin-2-yl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 74982359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).