1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone

C69H79F2N13O8S3 — CID 159120591

About 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone

1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone (PubChem CID 159120591) has the molecular formula C69H79F2N13O8S3 and a molecular weight of 1352.67 g/mol. Its IUPAC name is 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone
• PubChem CID: 159120591
• Molecular Formula: C69H79F2N13O8S3
• Molecular Weight: 1352.67 g/mol
• Exact Mass: 1351.53
• IUPAC Name: 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CS(=O)(=O)N1CC=C(c2n[nH]c3ccccc23)CC1
• InChI: InChI=1S/C15H17FN2O.C14H15FN2O2S.C14H17N3O.2C13H15N3O2S/c1-10(19)18-7-5-11(6-8-18)12-9-17-14-4-2-3-13(16)15(12)14;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)17-7-4-11(5-8-17)13-9-16-14-12(13)3-2-6-15-14;1-19(17,18)16-7-4-10(5-8-16)12-9-15-13-11(12)3-2-6-14-13;1-19(17,18)16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h2-4,9,11,17H,5-8H2,1H3;2-5,9,16H,6-8H2,1H3;2-3,6,9,11H,4-5,7-8H2,1H3,(H,15,16);2-4,6,9H,5,7-8H2,1H3,(H,14,15);2-6H,7-9H2,1H3,(H,14,15)
• InChIKey: KFQLNAIFABJNKH-UHFFFAOYSA-N
• XLogP: 10.90
• TPSA: 270.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1352.67
LogP ≤ 5	10.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone (CID 159120591) is 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone is CC(=O)N1CCC(c2c[nH]c3cccc(F)c23)CC1.CC(=O)N1CCC(c2c[nH]c3ncccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c(F)cccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ncccc23)CC1.CS(=O)(=O)N1CC=C(c2n[nH]c3ccccc23)CC1.

What is the InChIKey of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone?

The InChIKey is KFQLNAIFABJNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O.C14H15FN2O2S.C14H17N3O.2C13H15N3O2S/c1-10(19)18-7-5-11(6-8-18)12-9-17-14-4-2-3-13(16)15(12)14;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)17-7-4-11(5-8-17)13-9-16-14-12(13)3-2-6-15-14;1-19(17,18)16-7-4-10(5-8-16)12-9-15-13-11(12)3-2-6-14-13;1-19(17,18)16-8-6-10(7-9-16)13-11-4-2-3-5-12(11)14-15-13/h2-4,9,11,17H,5-8H2,1H3;2-5,9,16H,6-8H2,1H3;2-3,6,9,11H,4-5,7-8H2,1H3,(H,15,16);2-4,6,9H,5,7-8H2,1H3,(H,14,15);2-6H,7-9H2,1H3,(H,14,15).

What are the key properties of 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone?

1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone has a molecular weight of 1352.67 g/mol, XLogP of 10.90, 8 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;7-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 159120591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).