1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C74H87ClFN11O8S2 — CID 159400058

About 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 159400058) has the molecular formula C74H87ClFN11O8S2 and a molecular weight of 1377.16 g/mol. Its IUPAC name is 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 159400058
• Molecular Formula: C74H87ClFN11O8S2
• Molecular Weight: 1377.16 g/mol
• Exact Mass: 1375.59
• IUPAC Name: 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3c(Cl)cccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1.COc1cccc2[nH]cc(C3CCN(S(C)(=O)=O)CC3)c12.CS(=O)(=O)N1CCC(c2c[nH]c3c(F)cccc23)CC1
• InChI: InChI=1S/C16H20N2O.C15H15ClN2O.C15H20N2O3S.C14H17FN2O2S.C14H15N3O/c1-11-16(14-5-3-4-6-15(14)17-11)13-7-9-18(10-8-13)12(2)19;1-10(19)18-7-5-11(6-8-18)13-9-17-15-12(13)3-2-4-14(15)16;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-6,13,17H,7-10H2,1-2H3;2-5,9,17H,6-8H2,1H3;3-5,10-11,16H,6-9H2,1-2H3;2-4,9-10,16H,5-8H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3
• InChIKey: LNFMANVHTNLGQZ-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 236.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1377.16
LogP ≤ 5	13.62
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-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The IUPAC name of 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 159400058) is 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The canonical SMILES for 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c(Cl)cccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c(C)[nH]c3ccccc23)CC1.COc1cccc2[nH]cc(C3CCN(S(C)(=O)=O)CC3)c12.CS(=O)(=O)N1CCC(c2c[nH]c3c(F)cccc23)CC1.

What is the InChIKey of 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The InChIKey is LNFMANVHTNLGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.C15H15ClN2O.C15H20N2O3S.C14H17FN2O2S.C14H15N3O/c1-11-16(14-5-3-4-6-15(14)17-11)13-7-9-18(10-8-13)12(2)19;1-10(19)18-7-5-11(6-8-18)13-9-17-15-12(13)3-2-4-14(15)16;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-20(18,19)17-7-5-10(6-8-17)12-9-16-14-11(12)3-2-4-13(14)15;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-6,13,17H,7-10H2,1-2H3;2-5,9,17H,6-8H2,1H3;3-5,10-11,16H,6-9H2,1-2H3;2-4,9-10,16H,5-8H2,1H3;2-3,5,8-9,16H,4,6-7H2,1H3.

What are the key properties of 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1377.16 g/mol, XLogP of 13.62, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(7-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)-1H-indole;1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 159400058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).