2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C104H82F2N20O13S2 — CID 158556021

About 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 158556021) has the molecular formula C104H82F2N20O13S2 and a molecular weight of 1922.06 g/mol. Its IUPAC name is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
• PubChem CID: 158556021
• Molecular Formula: C104H82F2N20O13S2
• Molecular Weight: 1922.06 g/mol
• Exact Mass: 1920.58
• IUPAC Name: 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
• SMILES: C#Cc1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.CC(F)(F)c1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1
• InChI: InChI=1S/2C18H15N3O2.C17H13F2N3O2S.C17H14N4O3.C17H14N4O2.C17H11N3O2S/c2*1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-17(18,19)15-10-25-16(22-15)8-14(23)13-7-11(4-6-21-13)24-12-3-2-5-20-9-12;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15;1-2-12-11-23-17(20-12)9-16(21)15-8-13(5-7-19-15)22-14-4-3-6-18-10-14/h2*2-9,11-12H,10H2,1H3;2-7,9-10H,8H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;1,3-8,10-11H,9H2
• InChIKey: HQHNHUJXXQPWRY-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 424.83 Ų
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1922.06
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The IUPAC name of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 158556021) is 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

What is the SMILES notation for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The canonical SMILES for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is C#Cc1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.CC(F)(F)c1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1ccnc(CC(=O)c2cc(Oc3cncnc3)ccn2)c1.

What is the InChIKey of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The InChIKey is HQHNHUJXXQPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N3O2.C17H13F2N3O2S.C17H14N4O3.C17H14N4O2.C17H11N3O2S/c2*1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-17(18,19)15-10-25-16(22-15)8-14(23)13-7-11(4-6-21-13)24-12-3-2-5-20-9-12;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;1-12-2-4-20-13(6-12)7-17(22)16-8-14(3-5-21-16)23-15-9-18-11-19-10-15;1-2-12-11-23-17(20-12)9-16(21)15-8-13(5-7-19-15)22-14-4-3-6-18-10-14/h2*2-9,11-12H,10H2,1H3;2-7,9-10H,8H2,1H3;2-6,8-11H,7H2,1H3;2-6,8-11H,7H2,1H3;1,3-8,10-11H,9H2.

What are the key properties of 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 1922.06 g/mol, XLogP of 19.48, 32 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(4-ethynyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;bis(2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone);2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 158556021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).