3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone

C69H83N15O8S3 — CID 159077640

IUPAC3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3ccncc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cnccc23)CC1
InChIInChI=1S/C15H17N3O2S.C14H17N3O.C14H15N3O.2C13H17N3O2S/c1-21(19,20)18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15;2*1-10(18)17-6-3-11(4-7-17)12-9-16-14-2-5-15-8-13(12)14;1-19(17,18)16-6-3-10(4-7-16)11-9-15-13-2-5-14-8-12(11)13;1-19(17,18)16-6-3-10(4-7-16)12-8-15-13-9-14-5-2-11(12)13/h2-3,8,10,12,17H,4-7H2,1H3;2,5,8-9,11,16H,3-4,6-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3;2*2,5,8-10,15H,3-4,6-7H2,1H3
InChIKeyKALJRTZVGPSTPG-UHFFFAOYSA-N
MW1346.72 g/mol
LogP10.07
Rot. Bonds8

About 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone

3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 159077640) has the molecular formula C69H83N15O8S3 and a molecular weight of 1346.72 g/mol. Its IUPAC name is 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone
PubChem CID159077640
Molecular FormulaC69H83N15O8S3
Molecular Weight1346.72 g/mol
Exact Mass1345.57
IUPAC Name3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CC=C(c2c[nH]c3ccncc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cnccc23)CC1
InChIInChI=1S/C15H17N3O2S.C14H17N3O.C14H15N3O.2C13H17N3O2S/c1-21(19,20)18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15;2*1-10(18)17-6-3-11(4-7-17)12-9-16-14-2-5-15-8-13(12)14;1-19(17,18)16-6-3-10(4-7-16)11-9-15-13-2-5-14-8-12(11)13;1-19(17,18)16-6-3-10(4-7-16)12-8-15-13-9-14-5-2-11(12)13/h2-3,8,10,12,17H,4-7H2,1H3;2,5,8-9,11,16H,3-4,6-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3;2*2,5,8-10,15H,3-4,6-7H2,1H3
InChIKeyKALJRTZVGPSTPG-UHFFFAOYSA-N
XLogP10.07
TPSA307.06 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms95
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.72
LogP ≤ 510.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

6-fluoro-3-[4-(trifluoromethylsulfonyl)piperazin-1-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157312238
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;4-(1H-indol-3-yl)-N-methylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 157598311
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159121753
6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159134273
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159436815
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
CID 159699842
1-acetyl-4-(1H-indol-3-yl)piperazine-2-carbonitrile;6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2-oxo-1,3-dihydroindole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one;4-(2-oxo-1,3-dihydroindol-3-yl)piperazine-1-sulfonamide
CID 160496855
6-fluoro-3-[1-(trifluoromethylsulfonyl)piperidin-4-yl]-1H-indole;4-(1H-indol-3-yl)-N,N-dimethylpiperazine-1-sulfonamide;1-[4-(1H-indol-3-yl)-2,2-dimethylpiperazin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-methylpiperazin-1-yl]ethanone
CID 160524766
3-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole;6-fluoro-3-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-1,3-dihydroindol-2-one;[4-(3H-indol-3-yl)-2-methylpiperazin-1-yl]-methyl-methylidene-oxo-lambda6-sulfane;3-[1-(methyl-methylidene-oxo-lambda6-sulfanyl)piperidin-4-yl]-1H-indole-5-carbonitrile;3-(3-methyl-1-methylsulfonylpiperidin-4-yl)-1H-indole
CID 157055142
1-[4-(4,6-difluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(6-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)indole;6-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)piperidin-1-yl]ethanone
CID 157199047
1-[2-(aminomethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-2-(methylaminomethyl)piperidin-1-yl]ethanone;1-[4-(1H-indol-3-yl)-4-(methylaminomethyl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanamine;1-[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]-N-methylmethanamine
CID 157272117
1-[4-(6-fluoro-1H-indol-3-yl)piperazin-1-yl]ethanone;6-fluoro-3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-2,3-dihydro-1H-quinoxaline;4-(1-methylsulfonylpiperidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 157272677

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone (CID 159077640) is 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3ccncc23)CC1.CC(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccncc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cnccc23)CC1.
What is the InChIKey of 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone?
The InChIKey is KALJRTZVGPSTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.C14H17N3O.C14H15N3O.2C13H17N3O2S/c1-21(19,20)18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15;2*1-10(18)17-6-3-11(4-7-17)12-9-16-14-2-5-15-8-13(12)14;1-19(17,18)16-6-3-10(4-7-16)11-9-15-13-2-5-14-8-12(11)13;1-19(17,18)16-6-3-10(4-7-16)12-8-15-13-9-14-5-2-11(12)13/h2-3,8,10,12,17H,4-7H2,1H3;2,5,8-9,11,16H,3-4,6-7H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3;2*2,5,8-10,15H,3-4,6-7H2,1H3.
What are the key properties of 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone?
3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 1346.72 g/mol, XLogP of 10.07, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsulfonylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[2,3-c]pyridine;3-(1-methylsulfonylpiperidin-4-yl)-1H-pyrrolo[3,2-c]pyridine;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(1H-pyrrolo[3,2-c]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159077640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).