4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C78H98N14O8S2 — CID 158803601

IUPAC4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncccc4OC)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.C[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1
InChIInChI=1S/C24H32N4O3S.C23H25N5O2.C17H25N3O2S.C14H16N2O/c1-3-32(29,30)18-19-8-9-22-21(16-19)20(17-26-22)6-5-11-27-12-14-28(15-13-27)24-23(31-2)7-4-10-25-24;24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-8-2-4-12-10(6-8)11-7-9(14(15)17)3-5-13(11)16-12/h4,7-10,16-17,26H,3,5-6,11-15,18H2,1-2H3;1-6,13,15,26H,7-12,16,24H2;3-4,11-12,14,18-19H,5-10H2,1-2H3;3,5,7-8,16H,2,4,6H2,1H3,(H2,15,17)/t;;;8-/m...1/s1
InChIKeyITUJKTNGVSUQQJ-VTCFWQDTSA-N
MW1423.87 g/mol
LogP9.99
Rot. Bonds21

About 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 158803601) has the molecular formula C78H98N14O8S2 and a molecular weight of 1423.87 g/mol. Its IUPAC name is 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound Name4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID158803601
Molecular FormulaC78H98N14O8S2
Molecular Weight1423.87 g/mol
Exact Mass1422.71
IUPAC Name4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncccc4OC)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.C[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1
InChIInChI=1S/C24H32N4O3S.C23H25N5O2.C17H25N3O2S.C14H16N2O/c1-3-32(29,30)18-19-8-9-22-21(16-19)20(17-26-22)6-5-11-27-12-14-28(15-13-27)24-23(31-2)7-4-10-25-24;24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-8-2-4-12-10(6-8)11-7-9(14(15)17)3-5-13(11)16-12/h4,7-10,16-17,26H,3,5-6,11-15,18H2,1-2H3;1-6,13,15,26H,7-12,16,24H2;3-4,11-12,14,18-19H,5-10H2,1-2H3;3,5,7-8,16H,2,4,6H2,1H3,(H2,15,17)/t;;;8-/m...1/s1
InChIKeyITUJKTNGVSUQQJ-VTCFWQDTSA-N
XLogP9.99
TPSA300.99 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001423.87
LogP ≤ 59.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

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Related Compounds

2-tert-butyl-1-benzofuran;2-tert-butyl-1H-indole;6-tert-butyl-N-methyl-N-(oxan-4-yl)pyrimidin-4-amine;4-tert-butyl-2-[2-(1-methylpiperidin-3-yl)ethyl]pyridine;(3S)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;(3R)-3-[(3-tert-butylphenyl)methyl]-1-methylsulfonylpyrrolidine;1-[(3S)-3-[(3-tert-butylphenyl)methyl]pyrrolidin-1-yl]ethanone;3-tert-butyl-5-piperidin-4-yloxypyridine;N-[2-[(4-tert-butyl-2-pyridinyl)amino]ethyl]-N-methylmethanesulfonamide;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]-4-methylmorpholine;N-[2-[(4-tert-butyl-2-pyridinyl)-methylamino]ethyl]-N-methylmethanesulfonamide
CID 157129738
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;5-(2-ethylsulfonylethyl)-3-(1-methylpiperidin-4-yl)-1H-indole;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 157271244
1-(benzenesulfonyl)-2-propan-2-yl-1H-indene;5-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-1-(2-phenylethyl)indole;5-tert-butyl-3-propan-2-yloxypyridin-2-amine;N-cyclopropyl-4-propan-2-ylbenzamide;2-methoxy-5-propan-2-ylpyridine;2-[(E)-3-methylbut-1-enyl]benzenesulfonamide;[(Z)-4-methylpent-2-en-2-yl]benzene;2-methyl-N-phenylpropanamide;(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methanone;1-methyl-5-propan-2-yl-2,3-dihydroindole;2-methyl-1-propan-2-yloxypropane;4-(propan-2-yloxymethyl)pyridine;N-(4-propan-2-ylphenyl)methanesulfonamide
CID 158334230
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 159570676
(6aR,9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(4R)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]oxolan-2-one;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;N,N-dimethyl-2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethanamine;2-[5-(ethylsulfonylmethyl)-1H-indol-3-yl]-N,N-dimethylethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;sulfane
CID 160155264
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 160556405
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indole;(6R)-6-(methylamino)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 161921784

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 158803601) is 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncccc4OC)CC3)c2c1.CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.C[C@@H]1CCc2[nH]c3ccc(C(N)=O)cc3c2C1.N#Cc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1.
What is the InChIKey of 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is ITUJKTNGVSUQQJ-VTCFWQDTSA-N. The full InChI is InChI=1S/C24H32N4O3S.C23H25N5O2.C17H25N3O2S.C14H16N2O/c1-3-32(29,30)18-19-8-9-22-21(16-19)20(17-26-22)6-5-11-27-12-14-28(15-13-27)24-23(31-2)7-4-10-25-24;24-8-7-18-15-26-22-6-5-20(13-21(18)22)30-16-23(29)28-11-9-27(10-12-28)19-3-1-17(14-25)2-4-19;1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;1-8-2-4-12-10(6-8)11-7-9(14(15)17)3-5-13(11)16-12/h4,7-10,16-17,26H,3,5-6,11-15,18H2,1-2H3;1-6,13,15,26H,7-12,16,24H2;3-4,11-12,14,18-19H,5-10H2,1-2H3;3,5,7-8,16H,2,4,6H2,1H3,(H2,15,17)/t;;;8-/m...1/s1.
What are the key properties of 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 1423.87 g/mol, XLogP of 9.99, 21 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile;5-(ethylsulfonylmethyl)-3-[3-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]propyl]-1H-indole;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;(6R)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 158803601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).