3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole

C61H65ClF4N10O7S2 — CID 157160134

About 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole (PubChem CID 157160134) has the molecular formula C61H65ClF4N10O7S2 and a molecular weight of 1225.83 g/mol. Its IUPAC name is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

• Compound Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole
• PubChem CID: 157160134
• Molecular Formula: C61H65ClF4N10O7S2
• Molecular Weight: 1225.83 g/mol
• Exact Mass: 1224.41
• IUPAC Name: 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole
• SMILES: 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)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.O=C(NCCO)N1CCC(c2c[nH]c3ccccc23)CC1
• InChI: InChI=1S/C16H21N3O2.C16H15N3O.C15H15F3N2O2S.C14H14ClFN2O2S/c20-10-7-17-16(21)19-8-5-12(6-9-19)14-11-18-15-4-2-1-3-13(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;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-12(15)13(16)6-10(11)14/h1-4,11-12,18,20H,5-10H2,(H,17,21);2-4,8,10,18H,5-7H2,1H3;2-4,8-9,19H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3
• InChIKey: AMGUSUNOTNQTND-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 234.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1225.83
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	6
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;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole?

The IUPAC name of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole (CID 157160134) is 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole.

What is the SMILES notation for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole?

The canonical SMILES for 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole is 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)N1CC=C(c2c[nH]c3cc(Cl)c(F)cc23)CC1.O=C(NCCO)N1CCC(c2c[nH]c3ccccc23)CC1.

What is the InChIKey of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole?

The InChIKey is AMGUSUNOTNQTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.C16H15N3O.C15H15F3N2O2S.C14H14ClFN2O2S/c20-10-7-17-16(21)19-8-5-12(6-9-19)14-11-18-15-4-2-1-3-13(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;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-12(15)13(16)6-10(11)14/h1-4,11-12,18,20H,5-10H2,(H,17,21);2-4,8,10,18H,5-7H2,1H3;2-4,8-9,19H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3.

What are the key properties of 3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole?

3-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-5-carbonitrile;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 1225.83 g/mol, XLogP of 10.97, 8 rotatable bonds, 6 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;6-chloro-5-fluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;N-(2-hydroxyethyl)-4-(1H-indol-3-yl)piperidine-1-carboxamide;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 157160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).