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

C95H123N17O10S3 — CID 160556405

About 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

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 (PubChem CID 160556405) has the molecular formula C95H123N17O10S3 and a molecular weight of 1759.34 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 160556405
• Molecular Formula: C95H123N17O10S3
• Molecular Weight: 1759.34 g/mol
• Exact Mass: 1757.88
• IUPAC Name: 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
• SMILES: CCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncccc4OC)CC3)c2c1.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.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
• InChI: InChI=1S/C24H32N4O3S.C23H25N5O2.2C17H25N3O2S.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;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;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;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;3,5,7-8,16H,2,4,6H2,1H3,(H2,15,17)/t;;;;8-/m....1/s1
• InChIKey: QYSYAAPYZFQNDV-XYTDPLJASA-N
• XLogP: 12.19
• TPSA: 357.40 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.34
LogP ≤ 5	12.19
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

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;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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCS(=O)(=O)Cc1ccc2[nH]cc(CCCN3CCN(c4ncccc4OC)CC3)c2c1.CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12.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;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?

The InChIKey is QYSYAAPYZFQNDV-XYTDPLJASA-N. The full InChI is InChI=1S/C24H32N4O3S.C23H25N5O2.2C17H25N3O2S.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;1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20;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;5-6,11-12,18H,3-4,7-10,13H2,1-2H3;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;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?

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 has a molecular weight of 1759.34 g/mol, XLogP of 12.19, 27 rotatable bonds, 8 hydrogen bond donors, and 18 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;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 is sourced from PubChem (CID 160556405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).