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

C64H63F3N10O8S3 — CID 157282630

IUPAC1-(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
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C23H22F3N3O2S.C21H22N4O2S.C20H19N3O4S/c1-28-10-7-15(8-11-28)20-14-29(22-5-2-17(13-19(20)22)23(24,25)26)32(30,31)18-3-4-21-16(12-18)6-9-27-21;1-24-11-7-15(8-12-24)19-14-25(21-18(19)3-2-9-23-21)28(26,27)17-4-5-20-16(13-17)6-10-22-20;1-21-11-9-15(10-12-21)19-14-22(28(26,27)17-5-3-2-4-6-17)20-8-7-16(23(24)25)13-18(19)20/h2-5,7,12-14,27H,6,8-11H2,1H3;2-5,7,9,13-14,22H,6,8,10-12H2,1H3;2-9,13-14H,10-12H2,1H3
InChIKeyAZVOQSFBKZGNQM-UHFFFAOYSA-N
MW1253.46 g/mol
LogP11.05
Rot. Bonds10

About 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

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 (PubChem CID 157282630) has the molecular formula C64H63F3N10O8S3 and a molecular weight of 1253.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID157282630
Molecular FormulaC64H63F3N10O8S3
Molecular Weight1253.46 g/mol
Exact Mass1252.39
IUPAC Name1-(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
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc23)CC1
InChIInChI=1S/C23H22F3N3O2S.C21H22N4O2S.C20H19N3O4S/c1-28-10-7-15(8-11-28)20-14-29(22-5-2-17(13-19(20)22)23(24,25)26)32(30,31)18-3-4-21-16(12-18)6-9-27-21;1-24-11-7-15(8-12-24)19-14-25(21-18(19)3-2-9-23-21)28(26,27)17-4-5-20-16(13-17)6-10-22-20;1-21-11-9-15(10-12-21)19-14-22(28(26,27)17-5-3-2-4-6-17)20-8-7-16(23(24)25)13-18(19)20/h2-5,7,12-14,27H,6,8-11H2,1H3;2-5,7,9,13-14,22H,6,8,10-12H2,1H3;2-9,13-14H,10-12H2,1H3
InChIKeyAZVOQSFBKZGNQM-UHFFFAOYSA-N
XLogP11.05
TPSA207.02 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001253.46
LogP ≤ 511.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[3-[4-[3-(dimethylamino)propylamino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790658
N-[3-[4-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790954
5-fluoro-1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157323013
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 157590009
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitroindole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;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 158111666
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
CID 158483047
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;N-methyl-N-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylphenyl]acetamide
CID 158678300
1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-pyridinyl]morpholine;4-[5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-pyridinyl]morpholine
CID 158880930
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 159360836
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-6-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 159672882
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)indol-1-yl]sulfonyl-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 159954949
5-fluoro-1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 160263859

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc([N+](=O)[O-])cc23)CC1.
What is the InChIKey of 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?
The InChIKey is AZVOQSFBKZGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2S.C21H22N4O2S.C20H19N3O4S/c1-28-10-7-15(8-11-28)20-14-29(22-5-2-17(13-19(20)22)23(24,25)26)32(30,31)18-3-4-21-16(12-18)6-9-27-21;1-24-11-7-15(8-12-24)19-14-25(21-18(19)3-2-9-23-21)28(26,27)17-4-5-20-16(13-17)6-10-22-20;1-21-11-9-15(10-12-21)19-14-22(28(26,27)17-5-3-2-4-6-17)20-8-7-16(23(24)25)13-18(19)20/h2-5,7,12-14,27H,6,8-11H2,1H3;2-5,7,9,13-14,22H,6,8,10-12H2,1H3;2-9,13-14H,10-12H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1253.46 g/mol, XLogP of 11.05, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157282630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).