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

C55H58F4N12O6S3 — CID 161457176

IUPAC5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4O2S.C18H19FN4O2S.C18H20N4O2S/c1-24-7-5-13(6-8-24)16-10-26(29(27,28)18-11-25(2)12-23-18)17-4-3-14(9-15(16)17)19(20,21)22;1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18;1-20-9-7-14(8-10-20)16-11-22(17-6-4-3-5-15(16)17)25(23,24)18-12-21(2)13-19-18/h3-5,9-12H,6-8H2,1-2H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3
InChIKeyWBHQUDNJFVHHBE-UHFFFAOYSA-N
MW1155.34 g/mol
LogP8.15
Rot. Bonds9

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

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 161457176) has the molecular formula C55H58F4N12O6S3 and a molecular weight of 1155.34 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
PubChem CID161457176
Molecular FormulaC55H58F4N12O6S3
Molecular Weight1155.34 g/mol
Exact Mass1154.37
IUPAC Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccccc23)CC1
InChIInChI=1S/C19H19F3N4O2S.C18H19FN4O2S.C18H20N4O2S/c1-24-7-5-13(6-8-24)16-10-26(29(27,28)18-11-25(2)12-23-18)17-4-3-14(9-15(16)17)19(20,21)22;1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18;1-20-9-7-14(8-10-20)16-11-22(17-6-4-3-5-15(16)17)25(23,24)18-12-21(2)13-19-18/h3-5,9-12H,6-8H2,1-2H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3
InChIKeyWBHQUDNJFVHHBE-UHFFFAOYSA-N
XLogP8.15
TPSA180.39 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001155.34
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole (CID 161457176) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cn(C)cn3)c3ccccc23)CC1.
What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is WBHQUDNJFVHHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2S.C18H19FN4O2S.C18H20N4O2S/c1-24-7-5-13(6-8-24)16-10-26(29(27,28)18-11-25(2)12-23-18)17-4-3-14(9-15(16)17)19(20,21)22;1-21-7-5-13(6-8-21)16-10-23(17-4-3-14(19)9-15(16)17)26(24,25)18-11-22(2)12-20-18;1-20-9-7-14(8-10-20)16-11-22(17-6-4-3-5-15(16)17)25(23,24)18-12-21(2)13-19-18/h3-5,9-12H,6-8H2,1-2H3;3-5,9-12H,6-8H2,1-2H3;3-7,11-13H,8-10H2,1-2H3.
What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole?
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1155.34 g/mol, XLogP of 8.15, 9 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(1-methylimidazol-4-yl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 161457176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).