1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone

C76H75ClF9N11O7S2 — CID 159664997

About 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone

1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (PubChem CID 159664997) has the molecular formula C76H75ClF9N11O7S2 and a molecular weight of 1525.07 g/mol. Its IUPAC name is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
• PubChem CID: 159664997
• Molecular Formula: C76H75ClF9N11O7S2
• Molecular Weight: 1525.07 g/mol
• Exact Mass: 1523.48
• IUPAC Name: 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3c(F)cc(F)cc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1
• InChI: InChI=1S/C16H17F3N2O.C15H14ClFN2O.C15H15F3N2O2S.C15H14F2N2O.C15H15N3O2S/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-9(20)19-4-2-10(3-5-19)13-8-18-15-12(13)6-11(16)7-14(15)17;1-21(19,20)18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-3,8-9,11,20H,4-7H2,1H3;2,6-8,18H,3-5H2,1H3;2-4,8-9,19H,5-7H2,1H3;2,6-8,18H,3-5H2,1H3;2-4,8,10,17H,5-7H2,1H3
• InChIKey: MTHFSAFKTHQWIZ-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 238.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1525.07
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone (CID 159664997) is 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c(F)cc(F)cc23)CC1.CC(=O)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(C(F)(F)F)cc23)CC1.

What is the InChIKey of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?

The InChIKey is MTHFSAFKTHQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N2O.C15H14ClFN2O.C15H15F3N2O2S.C15H14F2N2O.C15H15N3O2S/c1-10(22)21-6-4-11(5-7-21)14-9-20-15-8-12(16(17,18)19)2-3-13(14)15;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-13(16)14(17)6-11(12)15;1-23(21,22)20-6-4-10(5-7-20)13-9-19-14-3-2-11(8-12(13)14)15(16,17)18;1-9(20)19-4-2-10(3-5-19)13-8-18-15-12(13)6-11(16)7-14(15)17;1-21(19,20)18-6-4-12(5-7-18)14-10-17-15-3-2-11(9-16)8-13(14)15/h2-3,8-9,11,20H,4-7H2,1H3;2,6-8,18H,3-5H2,1H3;2-4,8-9,19H,5-7H2,1H3;2,6-8,18H,3-5H2,1H3;2-4,8,10,17H,5-7H2,1H3.

What are the key properties of 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone?

1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone has a molecular weight of 1525.07 g/mol, XLogP of 15.91, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-chloro-5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(5,7-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159664997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).