1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C62H67F4N11O6S3 — CID 158957119

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccccc23)CC1.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H25N3O2S.C20H21F3N4O2S.C19H21FN4O2S/c1-24-12-9-17(10-13-24)21-16-26(23-6-4-3-5-20(21)23)29(27,28)19-7-8-22-18(15-19)11-14-25(22)2;1-13-19(12-26(3)24-13)30(28,29)27-11-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-13-19(12-23(3)21-13)27(25,26)24-11-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24/h3-9,15-16H,10-14H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3
InChIKeyJMDKNSFJGWOPCW-UHFFFAOYSA-N
MW1234.48 g/mol
LogP10.03
Rot. Bonds9

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 158957119) has the molecular formula C62H67F4N11O6S3 and a molecular weight of 1234.48 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID158957119
Molecular FormulaC62H67F4N11O6S3
Molecular Weight1234.48 g/mol
Exact Mass1233.44
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccccc23)CC1.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21
InChIInChI=1S/C23H25N3O2S.C20H21F3N4O2S.C19H21FN4O2S/c1-24-12-9-17(10-13-24)21-16-26(23-6-4-3-5-20(21)23)29(27,28)19-7-8-22-18(15-19)11-14-25(22)2;1-13-19(12-26(3)24-13)30(28,29)27-11-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-13-19(12-23(3)21-13)27(25,26)24-11-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24/h3-9,15-16H,10-14H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3
InChIKeyJMDKNSFJGWOPCW-UHFFFAOYSA-N
XLogP10.03
TPSA165.81 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001234.48
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole with MolForge

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Related Compounds

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CID 166916649
US11787780, Example 170
CID 166916651
US11787780, Example 173
CID 166916652
4-[4-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085978
4-[5-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315449
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 24743526
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-5-(trifluoromethyl)indole
CID 24743561
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylindole
CID 24743729
1-benzenesulfonyl-2-(2-fluoro-phenyl)-5-(2-methyl-5-pyridin-3-yl-2H-pyrazol-3-yl)-1H-indole
CID 58200429
1-Benzenesulfonyl-2-(2,6-difluoro-phenyl)-5-(2-ethyl-5-pyridin-2-yl-2H-pyrazol-3-yl)-1H-indole
CID 58200549
1-(1-ethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 59259305

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 158957119) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccccc23)CC1.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is JMDKNSFJGWOPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S.C20H21F3N4O2S.C19H21FN4O2S/c1-24-12-9-17(10-13-24)21-16-26(23-6-4-3-5-20(21)23)29(27,28)19-7-8-22-18(15-19)11-14-25(22)2;1-13-19(12-26(3)24-13)30(28,29)27-11-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-13-19(12-23(3)21-13)27(25,26)24-11-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24/h3-9,15-16H,10-14H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-6,10-12H,7-9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 1234.48 g/mol, XLogP of 10.03, 9 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 158957119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).