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

C77H83F7N16O8S4 — CID 158642201

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(C(F)(F)F)cc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1C
InChIInChI=1S/C20H21F3N4O2S.C19H19F3N4O2S.C19H21FN4O2S.C19H22N4O2S/c1-13-19(11-24-26(13)3)30(28,29)27-12-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-24-7-5-13(6-8-24)17-12-26(29(27,28)15-10-23-25(2)11-15)18-4-3-14(9-16(17)18)19(20,21)22;1-13-19(11-21-23(13)3)27(25,26)24-12-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24;1-14-19(12-20-22(14)3)26(24,25)23-13-17(15-8-10-21(2)11-9-15)16-6-4-5-7-18(16)23/h4-6,10-12H,7-9H2,1-3H3;3-5,9-12H,6-8H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3
InChIKeyIANKTFHQGNBSKT-UHFFFAOYSA-N
MW1621.87 g/mol
LogP12.42
Rot. Bonds12

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

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 158642201) has the molecular formula C77H83F7N16O8S4 and a molecular weight of 1621.87 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
PubChem CID158642201
Molecular FormulaC77H83F7N16O8S4
Molecular Weight1621.87 g/mol
Exact Mass1620.54
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(C(F)(F)F)cc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1C
InChIInChI=1S/C20H21F3N4O2S.C19H19F3N4O2S.C19H21FN4O2S.C19H22N4O2S/c1-13-19(11-24-26(13)3)30(28,29)27-12-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-24-7-5-13(6-8-24)17-12-26(29(27,28)15-10-23-25(2)11-15)18-4-3-14(9-16(17)18)19(20,21)22;1-13-19(11-21-23(13)3)27(25,26)24-12-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24;1-14-19(12-20-22(14)3)26(24,25)23-13-17(15-8-10-21(2)11-9-15)16-6-4-5-7-18(16)23/h4-6,10-12H,7-9H2,1-3H3;3-5,9-12H,6-8H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3
InChIKeyIANKTFHQGNBSKT-UHFFFAOYSA-N
XLogP12.42
TPSA240.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.87
LogP ≤ 512.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

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

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Related Compounds

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CID 164049209
US11787780, Example 176
CID 164136295
US11787780, Example 169
CID 166916649
US11787780, Example 170
CID 166916651
US11787780, Example 173
CID 166916652
US11787780, Example 171
CID 166916665
2-[5-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 17895782
4-[4-(1-Ethylindol-5-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 19085978
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonylindole
CID 24743525
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 24743526
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743559
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (CID 158642201) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(C(F)(F)F)cc23)CC1.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)cnn1C.Cc1c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is IANKTFHQGNBSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O2S.C19H19F3N4O2S.C19H21FN4O2S.C19H22N4O2S/c1-13-19(11-24-26(13)3)30(28,29)27-12-17(14-6-8-25(2)9-7-14)16-10-15(20(21,22)23)4-5-18(16)27;1-24-7-5-13(6-8-24)17-12-26(29(27,28)15-10-23-25(2)11-15)18-4-3-14(9-16(17)18)19(20,21)22;1-13-19(11-21-23(13)3)27(25,26)24-12-17(14-6-8-22(2)9-7-14)16-10-15(20)4-5-18(16)24;1-14-19(12-20-22(14)3)26(24,25)23-13-17(15-8-10-21(2)11-9-15)16-6-4-5-7-18(16)23/h4-6,10-12H,7-9H2,1-3H3;3-5,9-12H,6-8H2,1-2H3;4-6,10-12H,7-9H2,1-3H3;4-8,12-13H,9-11H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1621.87 g/mol, XLogP of 12.42, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 158642201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).