4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole

C77H65ClN26O6S6 — CID 158567272

IUPAC4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole
SMILESCS(=O)(=O)c1nccc(-n2cc3ccccc3n2)n1.CS(=O)(=O)c1nccc(-n2ncc3ccccc32)n1.CSc1nccc(-n2cc3ccccc3n2)n1.CSc1nccc(-n2ncc3ccccc32)n1.CSc1nccc(Cl)n1.NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H14N6O2S.2C12H10N4O2S.2C12H10N4S.C7H6N2.C5H5ClN2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23;1-19(17,18)12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-19(17,18)12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-17-12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-17-12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-2-4-7-6(3-1)5-8-9-7;1-9-5-7-3-2-4(6)8-5/h1-11H,(H2,18,24,25)(H,19,21,22);2*2-8H,1H3;2*2-8H,1H3;1-5H,(H,8,9);2-3H,1H3
InChIKeyHRQDUINIHCRCHD-UHFFFAOYSA-N
MW1678.40 g/mol
LogP13.13
Rot. Bonds13

About 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole

4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole (PubChem CID 158567272) has the molecular formula C77H65ClN26O6S6 and a molecular weight of 1678.40 g/mol. Its IUPAC name is 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole.

Molecular Properties

Compound Name4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole
PubChem CID158567272
Molecular FormulaC77H65ClN26O6S6
Molecular Weight1678.40 g/mol
Exact Mass1676.36
IUPAC Name4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole
SMILESCS(=O)(=O)c1nccc(-n2cc3ccccc3n2)n1.CS(=O)(=O)c1nccc(-n2ncc3ccccc32)n1.CSc1nccc(-n2cc3ccccc3n2)n1.CSc1nccc(-n2ncc3ccccc32)n1.CSc1nccc(Cl)n1.NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1.c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H14N6O2S.2C12H10N4O2S.2C12H10N4S.C7H6N2.C5H5ClN2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23;1-19(17,18)12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-19(17,18)12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-17-12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-17-12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-2-4-7-6(3-1)5-8-9-7;1-9-5-7-3-2-4(6)8-5/h1-11H,(H2,18,24,25)(H,19,21,22);2*2-8H,1H3;2*2-8H,1H3;1-5H,(H,8,9);2-3H,1H3
InChIKeyHRQDUINIHCRCHD-UHFFFAOYSA-N
XLogP13.13
TPSA412.93 Ų
H-Bond Donors3
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001678.40
LogP ≤ 513.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1033

Analyze 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole with MolForge

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Related Compounds

carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylindol-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]indole;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]indole;tungsten
CID 157093127
N-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]butane-1-sulfonamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylurea;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(2-chloro-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-pyrazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157183865
4-N-(1H-indazol-6-yl)-7-(4-methylphenyl)sulfonyl-2-N-(4-methylsulfanylphenyl)pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-6-yl)-2-N-(4-methylsulfanylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-6-yl)-2-N-(4-methylsulfinylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 157588737
2-chloro-N,N-dimethyl-5-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;3-(1-methylpyrazol-4-yl)-N-(3-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylsulfonylphenyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 158914104
N,1-dimethylindazole-6-sulfonamide;N,1-dimethylpyrazolo[5,4-b]pyridine-6-sulfonamide;N,1-dimethylpyrazolo[4,3-c]pyridine-6-sulfonamide;N,1-dimethylpyrazolo[3,4-d]pyrimidine-6-sulfonamide
CID 159122349
3-[[2-(tert-butylamino)-5-methylpyrimidin-4-yl]amino]-N-piperidin-4-ylbenzenesulfonamide;2-N-tert-butyl-4-N-(7-fluoro-1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-4-N-(1H-indazol-4-yl)-5-methylpyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-1-ylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-piperidin-4-ylsulfonylphenyl)pyrimidine-2,4-diamine;2-N-tert-butyl-5-methyl-4-N-(3-pyrrol-1-ylphenyl)pyrimidine-2,4-diamine
CID 159516166
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylindole;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-(1H-indol-4-yl)pyrimidin-2-yl]-3-methylmorpholine;(3R)-4-[4-(2-ethylpyrazol-3-yl)-6-[1-(4-methylphenyl)sulfonylindol-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;4-[6-(2-ethylpyrazol-3-yl)-2-methylsulfonylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole;methane;tungsten
CID 159536767
5-amino-2-methylbenzenesulfonamide;N-(2-chloropyrimidin-4-yl)-2,3-dimethylindazol-6-amine;N-(2-chloropyrimidin-4-yl)-N,2,3-trimethylindazol-6-amine;2,4-dichloropyrimidine;2,3-dimethylindazol-6-amine;5-[[4-[(2,3-dimethylindazol-6-yl)-methylamino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide;[hydroxy-oxo-(sulfanylidenemethylidene)-lambda6-sulfanyl]formaldehyde;iodomethane;hydrochloride
CID 159620810
2-aminoacetamide;2-chloro-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine;chloro(trimethyl)silane;1H-indazol-6-amine;2-[[2-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]acetamide;N-(1H-indazol-6-yl)-4-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indazol-6-yl)-4-methylsulfinyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;N-(1H-indazol-6-yl)-4-methylsulfonyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 159664179
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-2-yl]-3-methylmorpholine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfanylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;4-[6-(1,4-dimethylpyrazol-5-yl)-2-methylsulfinylpyrimidin-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]-3-methylmorpholine;methane;molecular hydrogen;tungsten
CID 159781690
carbanide;4-(6-chloro-2-methylsulfanylpyrimidin-4-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;(3R)-3-methyl-4-[4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-2-yl]morpholine;(3R)-3-methyl-4-[4-(2-methylpyrazol-3-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-yl]morpholine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfanylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-[6-(2-methylpyrazol-3-yl)-2-methylsulfinylpyrimidin-4-yl]pyrrolo[2,3-b]pyridine;molecular hydrogen;tungsten
CID 159858720
1-(benzenesulfonyl)-5-[4-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazol-5-yl]pyrrolo[2,3-b]pyridine;2-[3-[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-5-yl]-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-1-yl]acetonitrile
CID 159926678

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole?
The IUPAC name of 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole (CID 158567272) is 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole.
What is the SMILES notation for 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole?
The canonical SMILES for 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole is CS(=O)(=O)c1nccc(-n2cc3ccccc3n2)n1.CS(=O)(=O)c1nccc(-n2ncc3ccccc32)n1.CSc1nccc(-n2cc3ccccc3n2)n1.CSc1nccc(-n2ncc3ccccc32)n1.CSc1nccc(Cl)n1.NS(=O)(=O)c1cccc(Nc2nccc(-n3ncc4ccccc43)n2)c1.c1ccc2[nH]ncc2c1.
What is the InChIKey of 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole?
The InChIKey is HRQDUINIHCRCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2S.2C12H10N4O2S.2C12H10N4S.C7H6N2.C5H5ClN2S/c18-26(24,25)14-6-3-5-13(10-14)21-17-19-9-8-16(22-17)23-15-7-2-1-4-12(15)11-20-23;1-19(17,18)12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-19(17,18)12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-17-12-13-7-6-11(14-12)16-8-9-4-2-3-5-10(9)15-16;1-17-12-13-7-6-11(15-12)16-10-5-3-2-4-9(10)8-14-16;1-2-4-7-6(3-1)5-8-9-7;1-9-5-7-3-2-4(6)8-5/h1-11H,(H2,18,24,25)(H,19,21,22);2*2-8H,1H3;2*2-8H,1H3;1-5H,(H,8,9);2-3H,1H3.
What are the key properties of 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole?
4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole has a molecular weight of 1678.40 g/mol, XLogP of 13.13, 13 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylsulfanylpyrimidine;1H-indazole;3-[(4-indazol-1-ylpyrimidin-2-yl)amino]benzenesulfonamide;1-(2-methylsulfanylpyrimidin-4-yl)indazole;2-(2-methylsulfanylpyrimidin-4-yl)indazole;1-(2-methylsulfonylpyrimidin-4-yl)indazole;2-(2-methylsulfonylpyrimidin-4-yl)indazole is sourced from PubChem (CID 158567272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).