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

C79H89F5N16O8S4 — CID 157251156

IUPAC1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
SMILESCCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccccc23)CC1
InChIInChI=1S/C22H25F3N4O2S.C21H25FN4O2S.C18H19FN4O2S.C18H20N4O2S/c1-5-28-15(3)21(14(2)26-28)32(30,31)29-13-19(16-8-10-27(4)11-9-16)18-12-17(22(23,24)25)6-7-20(18)29;1-5-25-15(3)21(14(2)23-25)29(27,28)26-13-19(16-8-10-24(4)11-9-16)18-12-17(22)6-7-20(18)26;1-21-7-5-13(6-8-21)17-12-23(18-4-3-14(19)9-16(17)18)26(24,25)15-10-20-22(2)11-15;1-20-9-7-14(8-10-20)17-13-22(18-6-4-3-5-16(17)18)25(23,24)15-11-19-21(2)12-15/h6-8,12-13H,5,9-11H2,1-4H3;6-8,12-13H,5,9-11H2,1-4H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3
InChIKeyAWJANEQGOYEIRO-UHFFFAOYSA-N
MW1613.94 g/mol
LogP12.82
Rot. Bonds14

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

1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole (PubChem CID 157251156) has the molecular formula C79H89F5N16O8S4 and a molecular weight of 1613.94 g/mol. Its IUPAC name is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole.

Molecular Properties

Compound Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
PubChem CID157251156
Molecular FormulaC79H89F5N16O8S4
Molecular Weight1613.94 g/mol
Exact Mass1612.59
IUPAC Name1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole
SMILESCCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccccc23)CC1
InChIInChI=1S/C22H25F3N4O2S.C21H25FN4O2S.C18H19FN4O2S.C18H20N4O2S/c1-5-28-15(3)21(14(2)26-28)32(30,31)29-13-19(16-8-10-27(4)11-9-16)18-12-17(22(23,24)25)6-7-20(18)29;1-5-25-15(3)21(14(2)23-25)29(27,28)26-13-19(16-8-10-24(4)11-9-16)18-12-17(22)6-7-20(18)26;1-21-7-5-13(6-8-21)17-12-23(18-4-3-14(19)9-16(17)18)26(24,25)15-10-20-22(2)11-15;1-20-9-7-14(8-10-20)17-13-22(18-6-4-3-5-16(17)18)25(23,24)15-11-19-21(2)12-15/h6-8,12-13H,5,9-11H2,1-4H3;6-8,12-13H,5,9-11H2,1-4H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3
InChIKeyAWJANEQGOYEIRO-UHFFFAOYSA-N
XLogP12.82
TPSA240.52 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001613.94
LogP ≤ 512.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole 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-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?
The IUPAC name of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole (CID 157251156) is 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole.
What is the SMILES notation for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?
The canonical SMILES for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole is CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(C(F)(F)F)ccc32)c1C.CCn1nc(C)c(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c1C.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cnn(C)c3)c3ccccc23)CC1.
What is the InChIKey of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?
The InChIKey is AWJANEQGOYEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N4O2S.C21H25FN4O2S.C18H19FN4O2S.C18H20N4O2S/c1-5-28-15(3)21(14(2)26-28)32(30,31)29-13-19(16-8-10-27(4)11-9-16)18-12-17(22(23,24)25)6-7-20(18)29;1-5-25-15(3)21(14(2)23-25)29(27,28)26-13-19(16-8-10-24(4)11-9-16)18-12-17(22)6-7-20(18)26;1-21-7-5-13(6-8-21)17-12-23(18-4-3-14(19)9-16(17)18)26(24,25)15-10-20-22(2)11-15;1-20-9-7-14(8-10-20)17-13-22(18-6-4-3-5-16(17)18)25(23,24)15-11-19-21(2)12-15/h6-8,12-13H,5,9-11H2,1-4H3;6-8,12-13H,5,9-11H2,1-4H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole?
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole has a molecular weight of 1613.94 g/mol, XLogP of 12.82, 14 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylpyrazol-4-yl)sulfonylindole is sourced from PubChem (CID 157251156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).