1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

C73H85Cl2FN10O9S4 — CID 158916331

About 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole

1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (PubChem CID 158916331) has the molecular formula C73H85Cl2FN10O9S4 and a molecular weight of 1464.72 g/mol. Its IUPAC name is 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

Molecular Properties

• Compound Name: 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
• PubChem CID: 158916331
• Molecular Formula: C73H85Cl2FN10O9S4
• Molecular Weight: 1464.72 g/mol
• Exact Mass: 1462.47
• IUPAC Name: 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole
• SMILES: CC(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.Cc1[nH]c2ccccc2c1C1=CCN(S(C)(=O)=O)CC1.Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1
• InChI: InChI=1S/C15H15ClN2O.C15H20N2O2S.C15H18N2O2S.C14H15ClN2O2S.C14H17FN2O2S/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;2*1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19;2*1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,17H,5-7H2,1H3;3-6,12,16H,7-10H2,1-2H3;3-7,16H,8-10H2,1-2H3;2-4,8-9,16H,5-7H2,1H3;2-3,8-10,16H,4-7H2,1H3
• InChIKey: JHGTVJJDNMVCES-UHFFFAOYSA-N
• XLogP: 13.91
• TPSA: 248.78 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1464.72
LogP ≤ 5	13.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?

The IUPAC name of 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole (CID 158916331) is 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole.

What is the SMILES notation for 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?

The canonical SMILES for 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is CC(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1.Cc1[nH]c2ccccc2c1C1=CCN(S(C)(=O)=O)CC1.Cc1[nH]c2ccccc2c1C1CCN(S(C)(=O)=O)CC1.

What is the InChIKey of 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?

The InChIKey is JHGTVJJDNMVCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O.C15H20N2O2S.C15H18N2O2S.C14H15ClN2O2S.C14H17FN2O2S/c1-10(19)18-6-4-11(5-7-18)14-9-17-15-3-2-12(16)8-13(14)15;2*1-11-15(13-5-3-4-6-14(13)16-11)12-7-9-17(10-8-12)20(2,18)19;2*1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14/h2-4,8-9,17H,5-7H2,1H3;3-6,12,16H,7-10H2,1-2H3;3-7,16H,8-10H2,1-2H3;2-4,8-9,16H,5-7H2,1H3;2-3,8-10,16H,4-7H2,1H3.

What are the key properties of 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole?

1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole has a molecular weight of 1464.72 g/mol, XLogP of 13.91, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;5-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;2-methyl-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 158916331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).