7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

C70H73F4N9O6S3 — CID 159773516

IUPAC7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccccc23)CC1
InChIInChI=1S/C24H24F3N3O2S.C23H24FN3O2S.C23H25N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19;1-25-13-10-17(11-14-25)21-16-26(23-7-3-2-6-20(21)23)29(27,28)19-9-8-18-5-4-12-24-22(18)15-19/h4-8,13-15,28H,2-3,9-12H2,1H3;4-8,13-15,25H,2-3,9-12H2,1H3;2-3,6-10,15-16,24H,4-5,11-14H2,1H3
InChIKeyNGKURWRMGXXQPH-UHFFFAOYSA-N
MW1308.60 g/mol
LogP13.02
Rot. Bonds9

About 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 159773516) has the molecular formula C70H73F4N9O6S3 and a molecular weight of 1308.60 g/mol. Its IUPAC name is 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID159773516
Molecular FormulaC70H73F4N9O6S3
Molecular Weight1308.60 g/mol
Exact Mass1307.48
IUPAC Name7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccccc23)CC1
InChIInChI=1S/C24H24F3N3O2S.C23H24FN3O2S.C23H25N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19;1-25-13-10-17(11-14-25)21-16-26(23-7-3-2-6-20(21)23)29(27,28)19-9-8-18-5-4-12-24-22(18)15-19/h4-8,13-15,28H,2-3,9-12H2,1H3;4-8,13-15,25H,2-3,9-12H2,1H3;2-3,6-10,15-16,24H,4-5,11-14H2,1H3
InChIKeyNGKURWRMGXXQPH-UHFFFAOYSA-N
XLogP13.02
TPSA163.02 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001308.60
LogP ≤ 513.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline with MolForge

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Related Compounds

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7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
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7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 59259410
7-[3-(2-Methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 90849496
1-[(1-Methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole
CID 91464831
12,13-dimethyl-5,20-bis[(E)-2-(2-phenyl-1H-indol-3-yl)ethenyl]-8,17-diazoniapentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,12,17(22),18,20-nonaene;bis(trifluoromethanesulfonate)
CID 126738777
7-[3-(3,6-dihydro-2H-pyridin-1-id-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
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(1S)-2-[[3-[(1R)-2-[(2-fluorophenyl)methylsulfonyl]-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-7-yl]phenyl]methylsulfonyl]-1-(1H-indol-3-yl)-7-[3-[[(1R)-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonylmethyl]phenyl]-3,4-dihydro-1H-isoquinoline
CID 145149165
(1R)-1-(1H-indol-3-yl)-7-[3-[[(1S)-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonylmethyl]-2-(trifluoromethyl)phenyl]-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinoline
CID 145149168
(1R)-7-[2-fluoro-3-[[(1S)-7-[2-fluoro-3-[[(1R)-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonylmethyl]phenyl]-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]sulfonylmethyl]phenyl]-2-[(3-fluorophenyl)methylsulfonyl]-1-(1H-indol-3-yl)-3,4-dihydro-1H-isoquinoline
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(1S)-1-[7-[(1R)-1-(1H-indol-3-yl)-2-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinolin-4-yl]-1H-indol-3-yl]-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-5-[3-[(1R)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]-3,4-dihydro-1H-isoquinolin-1-yl]-1H-indol-7-yl]-3,4-dihydro-1H-isoquinoline
CID 146368593

Frequently Asked Questions

What is the IUPAC name of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (CID 159773516) is 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccccc23)CC1.
What is the InChIKey of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is NGKURWRMGXXQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S.C23H24FN3O2S.C23H25N3O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-26-11-8-16(9-12-26)21-15-27(23-7-5-18(24)13-20(21)23)30(28,29)19-6-4-17-3-2-10-25-22(17)14-19;1-25-13-10-17(11-14-25)21-16-26(23-7-3-2-6-20(21)23)29(27,28)19-9-8-18-5-4-12-24-22(18)15-19/h4-8,13-15,28H,2-3,9-12H2,1H3;4-8,13-15,25H,2-3,9-12H2,1H3;2-3,6-10,15-16,24H,4-5,11-14H2,1H3.
What are the key properties of 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 1308.60 g/mol, XLogP of 13.02, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159773516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).