6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

C72H78F4N10O6S3 — CID 160878776

IUPAC6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ncccc23)CC1
InChIInChI=1S/C25H26F3N3O2S.C24H26FN3O2S.C23H26N4O2S/c1-29-12-9-17(10-13-29)22-16-31(24-7-5-19(15-21(22)24)25(26,27)28)34(32,33)20-6-8-23-18(14-20)4-3-11-30(23)2;1-26-12-9-17(10-13-26)22-16-28(24-7-5-19(25)15-21(22)24)31(29,30)20-6-8-23-18(14-20)4-3-11-27(23)2;1-25-13-9-17(10-14-25)21-16-27(23-20(21)6-3-11-24-23)30(28,29)19-7-8-22-18(15-19)5-4-12-26(22)2/h5-9,14-16H,3-4,10-13H2,1-2H3;5-9,14-16H,3-4,10-13H2,1-2H3;3,6-9,11,15-16H,4-5,10,12-14H2,1-2H3
InChIKeySMTHMISCWVETEH-UHFFFAOYSA-N
MW1351.67 g/mol
LogP12.49
Rot. Bonds9

About 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 160878776) has the molecular formula C72H78F4N10O6S3 and a molecular weight of 1351.67 g/mol. Its IUPAC name is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID160878776
Molecular FormulaC72H78F4N10O6S3
Molecular Weight1351.67 g/mol
Exact Mass1350.52
IUPAC Name6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ncccc23)CC1
InChIInChI=1S/C25H26F3N3O2S.C24H26FN3O2S.C23H26N4O2S/c1-29-12-9-17(10-13-29)22-16-31(24-7-5-19(15-21(22)24)25(26,27)28)34(32,33)20-6-8-23-18(14-20)4-3-11-30(23)2;1-26-12-9-17(10-13-26)22-16-28(24-7-5-19(25)15-21(22)24)31(29,30)20-6-8-23-18(14-20)4-3-11-27(23)2;1-25-13-9-17(10-14-25)21-16-27(23-20(21)6-3-11-24-23)30(28,29)19-7-8-22-18(15-19)5-4-12-26(22)2/h5-9,14-16H,3-4,10-13H2,1-2H3;5-9,14-16H,3-4,10-13H2,1-2H3;3,6-9,11,15-16H,4-5,10,12-14H2,1-2H3
InChIKeySMTHMISCWVETEH-UHFFFAOYSA-N
XLogP12.49
TPSA149.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001351.67
LogP ≤ 512.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

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CID 83277110
9-(Benzenesulfonyl)-4,6-bis[2-(3-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765950
9-(Benzenesulfonyl)-4,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765951
8-Fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-3-ylquinoline
CID 135145475
8-Fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline
CID 135145588
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-N-methylprop-2-en-1-amine
CID 135145635
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-1-phenylmethanamine
CID 135145706
6-[1-[5-[1-(Benzenesulfonyl)indol-3-yl]imidazo[4,5-b]pyrazin-3-yl]ethyl]-5,7-difluoroquinoline
CID 141370361
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
CID 157232105
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitroindole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157282630
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 157320475

Frequently Asked Questions

What is the IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 160878776) is 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCCN4C)c3ncccc23)CC1.
What is the InChIKey of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is SMTHMISCWVETEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S.C24H26FN3O2S.C23H26N4O2S/c1-29-12-9-17(10-13-29)22-16-31(24-7-5-19(15-21(22)24)25(26,27)28)34(32,33)20-6-8-23-18(14-20)4-3-11-30(23)2;1-26-12-9-17(10-13-26)22-16-28(24-7-5-19(25)15-21(22)24)31(29,30)20-6-8-23-18(14-20)4-3-11-27(23)2;1-25-13-9-17(10-14-25)21-16-27(23-20(21)6-3-11-24-23)30(28,29)19-7-8-22-18(15-19)5-4-12-26(22)2/h5-9,14-16H,3-4,10-13H2,1-2H3;5-9,14-16H,3-4,10-13H2,1-2H3;3,6-9,11,15-16H,4-5,10,12-14H2,1-2H3.
What are the key properties of 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 1351.67 g/mol, XLogP of 12.49, 9 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 160878776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).