3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole

C82H100F2N14O8S2 — CID 160537081

IUPAC3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1.CCN(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.O=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H25N3O.C17H23N3O2S.C17H23N3O2.C16H15N3O.C14H14F2N2O2S/c1-3-20(4-2)18(22)21-11-9-14(10-12-21)16-13-19-17-8-6-5-7-15(16)17;21-23(22,19-9-3-4-10-19)20-11-7-14(8-12-20)16-13-18-17-6-2-1-5-15(16)17;1-22-11-8-18-17(21)20-9-6-13(7-10-20)15-12-19-16-5-3-2-4-14(15)16;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;1-21(19,20)18-4-2-9(3-5-18)11-8-17-13-7-10(15)6-12(16)14(11)13/h5-8,13-14,19H,3-4,9-12H2,1-2H3;1-2,5-6,13-14,18H,3-4,7-12H2;2-5,12-13,19H,6-11H2,1H3,(H,18,21);2-4,8,10,18H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3
InChIKeyQWHJFCGRMLWXNV-UHFFFAOYSA-N
MW1511.92 g/mol
LogP14.37
Rot. Bonds13

About 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 160537081) has the molecular formula C82H100F2N14O8S2 and a molecular weight of 1511.92 g/mol. Its IUPAC name is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole
PubChem CID160537081
Molecular FormulaC82H100F2N14O8S2
Molecular Weight1511.92 g/mol
Exact Mass1510.73
IUPAC Name3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole
SMILESCC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1.CCN(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.O=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C18H25N3O.C17H23N3O2S.C17H23N3O2.C16H15N3O.C14H14F2N2O2S/c1-3-20(4-2)18(22)21-11-9-14(10-12-21)16-13-19-17-8-6-5-7-15(16)17;21-23(22,19-9-3-4-10-19)20-11-7-14(8-12-20)16-13-18-17-6-2-1-5-15(16)17;1-22-11-8-18-17(21)20-9-6-13(7-10-20)15-12-19-16-5-3-2-4-14(15)16;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;1-21(19,20)18-4-2-9(3-5-18)11-8-17-13-7-10(15)6-12(16)14(11)13/h5-8,13-14,19H,3-4,9-12H2,1-2H3;1-2,5-6,13-14,18H,3-4,7-12H2;2-5,12-13,19H,6-11H2,1H3,(H,18,21);2-4,8,10,18H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3
InChIKeyQWHJFCGRMLWXNV-UHFFFAOYSA-N
XLogP14.37
TPSA266.17 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.92
LogP ≤ 514.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole with MolForge

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Related Compounds

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 157160134
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 157371327
1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158002065
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;1-[4-[5-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 158300257
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 159013029
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
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-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;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-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
CID 159664997
3-(1-acetylpiperidin-4-yl)-1H-indole-5-carbonitrile;3-(1-acetylpiperidin-4-yl)-1H-indole-6-carbonitrile;7-chloro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;5,6-difluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole
CID 160517526
1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
CID 160850891
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole (CID 160537081) is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole is CC(=O)N1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1.CCN(CC)C(=O)N1CCC(c2c[nH]c3ccccc23)CC1.COCCNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.O=S(=O)(N1CCCC1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?
The InChIKey is QWHJFCGRMLWXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O.C17H23N3O2S.C17H23N3O2.C16H15N3O.C14H14F2N2O2S/c1-3-20(4-2)18(22)21-11-9-14(10-12-21)16-13-19-17-8-6-5-7-15(16)17;21-23(22,19-9-3-4-10-19)20-11-7-14(8-12-20)16-13-18-17-6-2-1-5-15(16)17;1-22-11-8-18-17(21)20-9-6-13(7-10-20)15-12-19-16-5-3-2-4-14(15)16;1-11(20)19-6-4-13(5-7-19)15-10-18-16-8-12(9-17)2-3-14(15)16;1-21(19,20)18-4-2-9(3-5-18)11-8-17-13-7-10(15)6-12(16)14(11)13/h5-8,13-14,19H,3-4,9-12H2,1-2H3;1-2,5-6,13-14,18H,3-4,7-12H2;2-5,12-13,19H,6-11H2,1H3,(H,18,21);2-4,8,10,18H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3.
What are the key properties of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole?
3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1511.92 g/mol, XLogP of 14.37, 13 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carbonitrile;N,N-diethyl-4-(1H-indol-3-yl)piperidine-1-carboxamide;4,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;4-(1H-indol-3-yl)-N-(2-methoxyethyl)piperidine-1-carboxamide;3-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 160537081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).