6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

C60H70F4N12O6S2 — CID 159134273

About 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one

6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 159134273) has the molecular formula C60H70F4N12O6S2 and a molecular weight of 1195.42 g/mol. Its IUPAC name is 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
• PubChem CID: 159134273
• Molecular Formula: C60H70F4N12O6S2
• Molecular Weight: 1195.42 g/mol
• Exact Mass: 1194.49
• IUPAC Name: 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one
• SMILES: CC(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(C(F)(F)F)cc32)CC1.Fc1ccc2c(C3CCN(c4cccnc4)CC3)c[nH]c2c1.NS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C18H18FN3.C15H17F3N2O3S.C15H19N3O.C12H16N4O2S/c19-14-3-4-16-17(12-21-18(16)10-14)13-5-8-22(9-6-13)15-2-1-7-20-11-15;1-24(22,23)20-6-4-9(5-7-20)13-11-8-10(15(16,17)18)2-3-12(11)19-14(13)21;1-12(19)17-7-4-8-18(10-9-17)15-11-16-14-6-3-2-5-13(14)15;13-19(17,18)16-7-5-15(6-8-16)12-9-14-11-4-2-1-3-10(11)12/h1-4,7,10-13,21H,5-6,8-9H2;2-3,8-9,13H,4-7H2,1H3,(H,19,21);2-3,5-6,11,16H,4,7-10H2,1H3;1-4,9,14H,5-8H2,(H2,13,17,18)
• InChIKey: KHGZPPYRCCPVSU-UHFFFAOYSA-N
• XLogP: 9.22
• TPSA: 220.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1195.42
LogP ≤ 5	9.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?

The IUPAC name of 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 159134273) is 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one.

What is the SMILES notation for 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?

The canonical SMILES for 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is CC(=O)N1CCCN(c2c[nH]c3ccccc23)CC1.CS(=O)(=O)N1CCC(C2C(=O)Nc3ccc(C(F)(F)F)cc32)CC1.Fc1ccc2c(C3CCN(c4cccnc4)CC3)c[nH]c2c1.NS(=O)(=O)N1CCN(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?

The InChIKey is KHGZPPYRCCPVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3.C15H17F3N2O3S.C15H19N3O.C12H16N4O2S/c19-14-3-4-16-17(12-21-18(16)10-14)13-5-8-22(9-6-13)15-2-1-7-20-11-15;1-24(22,23)20-6-4-9(5-7-20)13-11-8-10(15(16,17)18)2-3-12(11)19-14(13)21;1-12(19)17-7-4-8-18(10-9-17)15-11-16-14-6-3-2-5-13(14)15;13-19(17,18)16-7-5-15(6-8-16)12-9-14-11-4-2-1-3-10(11)12/h1-4,7,10-13,21H,5-6,8-9H2;2-3,8-9,13H,4-7H2,1H3,(H,19,21);2-3,5-6,11,16H,4,7-10H2,1H3;1-4,9,14H,5-8H2,(H2,13,17,18).

What are the key properties of 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one?

6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 1195.42 g/mol, XLogP of 9.22, 7 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-3-(1-pyridin-3-ylpiperidin-4-yl)-1H-indole;1-[4-(1H-indol-3-yl)-1,4-diazepan-1-yl]ethanone;4-(1H-indol-3-yl)piperazine-1-sulfonamide;3-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 159134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).