1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C75H84F3N11O8S — CID 158394544

About 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 158394544) has the molecular formula C75H84F3N11O8S and a molecular weight of 1356.63 g/mol. Its IUPAC name is 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• PubChem CID: 158394544
• Molecular Formula: C75H84F3N11O8S
• Molecular Weight: 1356.63 g/mol
• Exact Mass: 1355.62
• IUPAC Name: 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.COc1ccc2[nH]cc(C3CCN(C(C)=O)CC3)c2c1.COc1cccc2[nH]cc(C3=CCN(S(C)(=O)=O)CC3)c12
• InChI: InChI=1S/C16H20N2O2.C15H14F2N2O.C15H17FN2O.C15H18N2O3S.C14H15N3O/c1-11(19)18-7-5-12(6-8-18)15-10-17-16-4-3-13(20-2)9-14(15)16;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-4,9-10,12,17H,5-8H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;3-6,10,16H,7-9H2,1-2H3;2-3,5,8-9,16H,4,6-7H2,1H3
• InChIKey: GXJOVPZRMJOJBN-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 228.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1356.63
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 158394544) is 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

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

The canonical SMILES for 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CC(=O)N1CC=C(c2c[nH]c3cc(F)cc(F)c23)CC1.CC(=O)N1CC=C(c2c[nH]c3cnccc23)CC1.CC(=O)N1CCC(c2c[nH]c3cc(F)ccc23)CC1.COc1ccc2[nH]cc(C3CCN(C(C)=O)CC3)c2c1.COc1cccc2[nH]cc(C3=CCN(S(C)(=O)=O)CC3)c12.

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

The InChIKey is GXJOVPZRMJOJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2.C15H14F2N2O.C15H17FN2O.C15H18N2O3S.C14H15N3O/c1-11(19)18-7-5-12(6-8-18)15-10-17-16-4-3-13(20-2)9-14(15)16;1-9(20)19-4-2-10(3-5-19)12-8-18-14-7-11(16)6-13(17)15(12)14;1-10(19)18-6-4-11(5-7-18)14-9-17-15-8-12(16)2-3-13(14)15;1-20-14-5-3-4-13-15(14)12(10-16-13)11-6-8-17(9-7-11)21(2,18)19;1-10(18)17-6-3-11(4-7-17)13-8-16-14-9-15-5-2-12(13)14/h3-4,9-10,12,17H,5-8H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-3,8-9,11,17H,4-7H2,1H3;3-6,10,16H,7-9H2,1-2H3;2-3,5,8-9,16H,4,6-7H2,1H3.

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

1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 1356.63 g/mol, XLogP of 13.44, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone;4-methoxy-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 158394544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).