1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole

C68H76F3N11O6S3 — CID 158351586

IUPAC1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
SMILESCCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c(C)n1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ncccc23)CC1
InChIInChI=1S/C25H26F3N3O2S.C23H26N4O2S.C20H24N4O2S/c1-29-13-9-18(10-14-29)23-17-31(24-8-7-19(15-22(23)24)25(26,27)28)34(32,33)21-6-4-5-20(16-21)30-11-2-3-12-30;1-25-14-9-18(10-15-25)22-17-27(23-21(22)8-5-11-24-23)30(28,29)20-7-4-6-19(16-20)26-12-2-3-13-26;1-4-23-14-20(15(2)21-23)27(25,26)24-13-18(16-9-11-22(3)12-10-16)17-7-5-6-8-19(17)24/h4-9,15-17H,2-3,10-14H2,1H3;4-9,11,16-17H,2-3,10,12-15H2,1H3;5-9,13-14H,4,10-12H2,1-3H3
InChIKeyGSJOWCYYXVLVHK-UHFFFAOYSA-N
MW1296.62 g/mol
LogP11.93
Rot. Bonds12

About 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole

1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (PubChem CID 158351586) has the molecular formula C68H76F3N11O6S3 and a molecular weight of 1296.62 g/mol. Its IUPAC name is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
PubChem CID158351586
Molecular FormulaC68H76F3N11O6S3
Molecular Weight1296.62 g/mol
Exact Mass1295.51
IUPAC Name1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole
SMILESCCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c(C)n1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ncccc23)CC1
InChIInChI=1S/C25H26F3N3O2S.C23H26N4O2S.C20H24N4O2S/c1-29-13-9-18(10-14-29)23-17-31(24-8-7-19(15-22(23)24)25(26,27)28)34(32,33)21-6-4-5-20(16-21)30-11-2-3-12-30;1-25-14-9-18(10-15-25)22-17-27(23-21(22)8-5-11-24-23)30(28,29)20-7-4-6-19(16-20)26-12-2-3-13-26;1-4-23-14-20(15(2)21-23)27(25,26)24-13-18(16-9-11-22(3)12-10-16)17-7-5-6-8-19(17)24/h4-9,15-17H,2-3,10-14H2,1H3;4-9,11,16-17H,2-3,10,12-15H2,1H3;5-9,13-14H,4,10-12H2,1-3H3
InChIKeyGSJOWCYYXVLVHK-UHFFFAOYSA-N
XLogP11.93
TPSA164.12 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001296.62
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole with MolForge

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Related Compounds

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1-[5-[1-(benzenesulfonyl)-2-(2,6-difluorophenyl)indol-5-yl]-1-methylpyrazol-3-yl]-2-[5-[5-[2-(2,6-difluorophenyl)-1H-indol-5-yl]-1-methylpyrazol-3-yl]pyrimidin-2-yl]hydrazine
CID 67043411
11-(5-Fluoro-1-methylindol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
CID 67360870
4-[1-ethyl-3-(4-nitrophenyl)-1H-pyrazol-4-yl]-2-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 68998916
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CID 68999039
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3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-5-(4-(4-(methylsulfonyl)piperazin-1-yl)phenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
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3-(1-(3-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl)-5-(4-(4-methylpiperazin-1-yl)phenyl)-1-tosyl-1H-pyrrolo[2,3-b]pyridine
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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole (CID 158351586) is 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is CCn1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3ccccc32)c(C)n1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N4CCCC4)c3)c3ncccc23)CC1.
What is the InChIKey of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is GSJOWCYYXVLVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O2S.C23H26N4O2S.C20H24N4O2S/c1-29-13-9-18(10-14-29)23-17-31(24-8-7-19(15-22(23)24)25(26,27)28)34(32,33)21-6-4-5-20(16-21)30-11-2-3-12-30;1-25-14-9-18(10-15-25)22-17-27(23-21(22)8-5-11-24-23)30(28,29)20-7-4-6-19(16-20)26-12-2-3-13-26;1-4-23-14-20(15(2)21-23)27(25,26)24-13-18(16-9-11-22(3)12-10-16)17-7-5-6-8-19(17)24/h4-9,15-17H,2-3,10-14H2,1H3;4-9,11,16-17H,2-3,10,12-15H2,1H3;5-9,13-14H,4,10-12H2,1-3H3.
What are the key properties of 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole?
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1296.62 g/mol, XLogP of 11.93, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(3-pyrrolidin-1-ylphenyl)sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 158351586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).