1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C74H87N13O6S — CID 157134434

About 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 157134434) has the molecular formula C74H87N13O6S and a molecular weight of 1286.66 g/mol. Its IUPAC name is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 157134434
• Molecular Formula: C74H87N13O6S
• Molecular Weight: 1286.66 g/mol
• Exact Mass: 1285.66
• IUPAC Name: 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1.CC(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C17H20N2O.C16H18N2O.C14H15N3O.C14H17N3O.C13H17N3O2S/c1-12(2)17(20)19-9-7-13(8-10-19)15-11-18-16-6-4-3-5-14(15)16;1-11-16(14-5-3-4-6-15(14)17-11)13-7-9-18(10-8-13)12(2)19;1-10(18)17-7-4-11(5-8-17)13-9-16-14-12(13)3-2-6-15-14;1-11(18)16-6-8-17(9-7-16)14-10-15-13-5-3-2-4-12(13)14;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13/h3-7,11-12,18H,8-10H2,1-2H3;3-7,17H,8-10H2,1-2H3;2-4,6,9H,5,7-8H2,1H3,(H,15,16);2-5,10,15H,6-9H2,1H3;2-5,10,14H,6-9H2,1H3
• InChIKey: AJLNCZSTJLFALK-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 216.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1286.66
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The IUPAC name of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 157134434) is 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The canonical SMILES for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CC(=O)N1CCN(c2c[nH]c3ccccc23)CC1.CC(C)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The InChIKey is AJLNCZSTJLFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.C16H18N2O.C14H15N3O.C14H17N3O.C13H17N3O2S/c1-12(2)17(20)19-9-7-13(8-10-19)15-11-18-16-6-4-3-5-14(15)16;1-11-16(14-5-3-4-6-15(14)17-11)13-7-9-18(10-8-13)12(2)19;1-10(18)17-7-4-11(5-8-17)13-9-16-14-12(13)3-2-6-15-14;1-11(18)16-6-8-17(9-7-16)14-10-15-13-5-3-2-4-12(13)14;1-19(17,18)16-8-6-15(7-9-16)13-10-14-12-5-3-2-4-11(12)13/h3-7,11-12,18H,8-10H2,1-2H3;3-7,17H,8-10H2,1-2H3;2-4,6,9H,5,7-8H2,1H3,(H,15,16);2-5,10,15H,6-9H2,1H3;2-5,10,14H,6-9H2,1H3.

What are the key properties of 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1286.66 g/mol, XLogP of 11.84, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one;1-[4-(1H-indol-3-yl)piperazin-1-yl]ethanone;1-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 157134434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).