2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone

C138H108F7N35O14 — CID 157358964

About 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone

2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone (PubChem CID 157358964) has the molecular formula C138H108F7N35O14 and a molecular weight of 2616.62 g/mol. Its IUPAC name is 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
• PubChem CID: 157358964
• Molecular Formula: C138H108F7N35O14
• Molecular Weight: 2616.62 g/mol
• Exact Mass: 2614.89
• IUPAC Name: 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
• SMILES: CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.O=C(Cc1ccccn1)c1cc(Oc2cncc(F)c2)cn2ncnc12.[2H]c1nc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)c([2H])c([2H])c1C
• InChI: InChI=1S/C21H18FN5O2.4C20H16FN5O2.C19H14FN5O2.C18H12FN5O2/c1-3-15-5-4-6-16(24-15)8-20(28)19-9-18(12-27-13(2)25-26-21(19)27)29-17-7-14(22)10-23-11-17;2*1-12-3-4-15(23-8-12)6-19(27)18-7-17(11-26-13(2)24-25-20(18)26)28-16-5-14(21)9-22-10-16;2*1-12-4-3-5-15(23-12)7-19(27)18-8-17(11-26-13(2)24-25-20(18)26)28-16-6-14(21)9-22-10-16;1-12-2-3-14(22-7-12)5-18(26)17-6-16(10-25-19(17)23-11-24-25)27-15-4-13(20)8-21-9-15;19-12-5-14(9-20-8-12)26-15-7-16(18-22-11-23-24(18)10-15)17(25)6-13-3-1-2-4-21-13/h4-7,9-12H,3,8H2,1-2H3;2*3-5,7-11H,6H2,1-2H3;2*3-6,8-11H,7H2,1-2H3;2-4,6-11H,5H2,1H3;1-5,7-11H,6H2/i;;;;;2D,3D,7D
• InChIKey: BIKKWJHYCGKBJA-ZNCNNYOSSA-N
• XLogP: 23.78
• TPSA: 575.89 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 36
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.62
LogP ≤ 5	23.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone?

The IUPAC name of 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone (CID 157358964) is 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone.

What is the SMILES notation for 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone?

The canonical SMILES for 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone is CCc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)nc1.Cc1ccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncc(F)c3)cn3c(C)nnc23)n1.O=C(Cc1ccccn1)c1cc(Oc2cncc(F)c2)cn2ncnc12.[2H]c1nc(CC(=O)c2cc(Oc3cncc(F)c3)cn3ncnc23)c([2H])c([2H])c1C.

What is the InChIKey of 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone?

The InChIKey is BIKKWJHYCGKBJA-ZNCNNYOSSA-N. The full InChI is InChI=1S/C21H18FN5O2.4C20H16FN5O2.C19H14FN5O2.C18H12FN5O2/c1-3-15-5-4-6-16(24-15)8-20(28)19-9-18(12-27-13(2)25-26-21(19)27)29-17-7-14(22)10-23-11-17;2*1-12-3-4-15(23-8-12)6-19(27)18-7-17(11-26-13(2)24-25-20(18)26)28-16-5-14(21)9-22-10-16;2*1-12-4-3-5-15(23-12)7-19(27)18-8-17(11-26-13(2)24-25-20(18)26)28-16-6-14(21)9-22-10-16;1-12-2-3-14(22-7-12)5-18(26)17-6-16(10-25-19(17)23-11-24-25)27-15-4-13(20)8-21-9-15;19-12-5-14(9-20-8-12)26-15-7-16(18-22-11-23-24(18)10-15)17(25)6-13-3-1-2-4-21-13/h4-7,9-12H,3,8H2,1-2H3;2*3-5,7-11H,6H2,1-2H3;2*3-6,8-11H,7H2,1-2H3;2-4,6-11H,5H2,1H3;1-5,7-11H,6H2/i;;;;;2D,3D,7D;.

What are the key properties of 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone?

2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone has a molecular weight of 2616.62 g/mol, XLogP of 23.78, 36 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-ethyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]ethanone;bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-[(5-fluoro-3-pyridinyl)oxy]-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone);1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone;1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 157358964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).