3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

C68H69F6N9O7S2 — CID 162208960

About 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 162208960) has the molecular formula C68H69F6N9O7S2 and a molecular weight of 1302.48 g/mol. Its IUPAC name is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 162208960
• Molecular Formula: C68H69F6N9O7S2
• Molecular Weight: 1302.48 g/mol
• Exact Mass: 1301.47
• IUPAC Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1
• InChI: InChI=1S/C21H24N2O3S.C16H15F3N2O.C16H15N3O.C15H15F3N2O2S/c1-27(24,25)23-11-9-17(10-12-23)20-14-22-21-13-18(7-8-19(20)21)26-15-16-5-3-2-4-6-16;1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-11(20)19-6-4-13(5-7-19)15-10-18-16-3-2-12(9-17)8-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-8-11(15(16,17)18)2-3-12(13)14/h2-8,13-14,17,22H,9-12,15H2,1H3;2-4,8-9,20H,5-7H2,1H3;2-4,8,10,18H,5-7H2,1H3;2-4,8-9,19H,5-7H2,1H3
• InChIKey: ZSOSTGWMEPUENK-UHFFFAOYSA-N
• XLogP: 13.62
• TPSA: 211.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1302.48
LogP ≤ 5	13.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 162208960) is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone.

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

The canonical SMILES for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.

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

The InChIKey is ZSOSTGWMEPUENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S.C16H15F3N2O.C16H15N3O.C15H15F3N2O2S/c1-27(24,25)23-11-9-17(10-12-23)20-14-22-21-13-18(7-8-19(20)21)26-15-16-5-3-2-4-6-16;1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-11(20)19-6-4-13(5-7-19)15-10-18-16-3-2-12(9-17)8-14(15)16;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-8-11(15(16,17)18)2-3-12(13)14/h2-8,13-14,17,22H,9-12,15H2,1H3;2-4,8-9,20H,5-7H2,1H3;2-4,8,10,18H,5-7H2,1H3;2-4,8-9,19H,5-7H2,1H3.

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

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1302.48 g/mol, XLogP of 13.62, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-6-phenylmethoxy-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 162208960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).