3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C87H106N10O9S2 — CID 158104652

About 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 158104652) has the molecular formula C87H106N10O9S2 and a molecular weight of 1500.00 g/mol. Its IUPAC name is 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 158104652
• Molecular Formula: C87H106N10O9S2
• Molecular Weight: 1500.00 g/mol
• Exact Mass: 1498.76
• IUPAC Name: 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c2CCCC3)CC1
• InChI: InChI=1S/2C22H22N2O2.C15H20N2O.C14H22N2O2S.C14H20N2O2S/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-8-7-19(13-20(21)22)26-15-17-5-3-2-4-6-17;1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;2*1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2*2-9,13-14,23H,10-12,15H2,1H3;6,10,16H,2-5,7-9H2,1H3;10-11,15H,2-9H2,1H3;6,10,15H,2-5,7-9H2,1H3
• InChIKey: FPROJYQCNOTWST-UHFFFAOYSA-N
• XLogP: 15.27
• TPSA: 233.10 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 13
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1500.00
LogP ≤ 5	15.27
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The IUPAC name of 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 158104652) is 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

What is the SMILES notation for 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The canonical SMILES for 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CC(=O)N1CC=C(c2c[nH]c3cc(OCc4ccccc4)ccc23)CC1.CC(=O)N1CC=C(c2c[nH]c3ccc(OCc4ccccc4)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3c2CCCC3)CC1.CS(=O)(=O)N1CCC(c2c[nH]c3c2CCCC3)CC1.

What is the InChIKey of 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

The InChIKey is FPROJYQCNOTWST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H22N2O2.C15H20N2O.C14H22N2O2S.C14H20N2O2S/c1-16(25)24-11-9-18(10-12-24)21-14-23-22-8-7-19(13-20(21)22)26-15-17-5-3-2-4-6-17;1-16(25)24-11-9-18(10-12-24)21-14-23-22-13-19(7-8-20(21)22)26-15-17-5-3-2-4-6-17;1-11(18)17-8-6-12(7-9-17)14-10-16-15-5-3-2-4-13(14)15;2*1-19(17,18)16-8-6-11(7-9-16)13-10-15-14-5-3-2-4-12(13)14/h2*2-9,13-14,23H,10-12,15H2,1H3;6,10,16H,2-5,7-9H2,1H3;10-11,15H,2-9H2,1H3;6,10,15H,2-5,7-9H2,1H3.

What are the key properties of 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?

3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1500.00 g/mol, XLogP of 15.27, 13 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-4,5,6,7-tetrahydro-1H-indole;3-(1-methylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydro-1H-indole;1-[4-(5-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-phenylmethoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(4,5,6,7-tetrahydro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 158104652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).