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

C109H86N36O13 — CID 158744498

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

2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone (PubChem CID 158744498) has the molecular formula C109H86N36O13 and a molecular weight of 2111.14 g/mol. Its IUPAC name is 2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
• PubChem CID: 158744498
• Molecular Formula: C109H86N36O13
• Molecular Weight: 2111.14 g/mol
• Exact Mass: 2109.74
• IUPAC Name: 2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone
• SMILES: CCc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.[2H]c1nc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)c([2H])c([2H])c1C
• InChI: InChI=1S/C19H16N6O2.C18H14N6O3.4C18H14N6O2/c1-2-13-4-3-5-14(23-13)6-18(26)17-7-15(10-25-12-22-24-19(17)25)27-16-8-20-11-21-9-16;1-26-17-4-2-3-12(22-17)5-16(25)15-6-13(9-24-11-21-23-18(15)24)27-14-7-19-10-20-8-14;2*1-12-2-3-13(21-6-12)4-17(25)16-5-14(9-24-11-22-23-18(16)24)26-15-7-19-10-20-8-15;2*1-12-3-2-4-13(22-12)5-17(25)16-6-14(9-24-11-21-23-18(16)24)26-15-7-19-10-20-8-15/h3-5,7-12H,2,6H2,1H3;2-4,6-11H,5H2,1H3;2*2-3,5-11H,4H2,1H3;2*2-4,6-11H,5H2,1H3/i;;2D,3D,6D
• InChIKey: IMSDPJODBKPRQC-VYRDPESOSA-N
• XLogP: 14.60
• TPSA: 580.19 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2111.14
LogP ≤ 5	14.60
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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone (CID 158744498) is 2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone is CCc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.Cc1ccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)n1.[2H]c1nc(CC(=O)c2cc(Oc3cncnc3)cn3cnnc23)c([2H])c([2H])c1C.

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

The InChIKey is IMSDPJODBKPRQC-VYRDPESOSA-N. The full InChI is InChI=1S/C19H16N6O2.C18H14N6O3.4C18H14N6O2/c1-2-13-4-3-5-14(23-13)6-18(26)17-7-15(10-25-12-22-24-19(17)25)27-16-8-20-11-21-9-16;1-26-17-4-2-3-12(22-17)5-16(25)15-6-13(9-24-11-21-23-18(15)24)27-14-7-19-10-20-8-14;2*1-12-2-3-13(21-6-12)4-17(25)16-5-14(9-24-11-22-23-18(16)24)26-15-7-19-10-20-8-15;2*1-12-3-2-4-13(22-12)5-17(25)16-6-14(9-24-11-21-23-18(16)24)26-15-7-19-10-20-8-15/h3-5,7-12H,2,6H2,1H3;2-4,6-11H,5H2,1H3;2*2-3,5-11H,4H2,1H3;2*2-4,6-11H,5H2,1H3/i;;2D,3D,6D;;;.

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

2-(6-ethyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone has a molecular weight of 2111.14 g/mol, XLogP of 14.60, 32 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-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;2-(5-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone);1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(3,4,6-trideuterio-5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 158744498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).