1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

C86H62Cl3F5N14O10S2 — CID 158690624

About 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone

1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 158690624) has the molecular formula C86H62Cl3F5N14O10S2 and a molecular weight of 1717.01 g/mol. Its IUPAC name is 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
• PubChem CID: 158690624
• Molecular Formula: C86H62Cl3F5N14O10S2
• Molecular Weight: 1717.01 g/mol
• Exact Mass: 1714.32
• IUPAC Name: 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(Oc3cccnc3)c2)n1.O=C(Cc1ncccc1F)c1cc(F)cc(Oc2cncnc2)c1.O=C(Cc1nccs1)c1cc(Cl)cc(Oc2cccnc2)c1
• InChI: InChI=1S/C19H14F3N3O2.C17H13ClN4O2.C17H13ClN2O2S.C17H11F2N3O2.C16H11ClN2O2S/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-11-6-19-7-14(22-11)5-17(23)12-2-13(18)4-15(3-12)24-16-8-20-10-21-9-16;1-11-10-23-17(20-11)8-16(21)12-5-13(18)7-15(6-12)22-14-3-2-4-19-9-14;18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14;17-12-6-11(15(20)9-16-19-4-5-22-16)7-14(8-12)21-13-2-1-3-18-10-13/h2-7,9-11H,8H2,1H3;2-4,6-10H,5H2,1H3;2-7,9-10H,8H2,1H3;1-6,8-10H,7H2;1-8,10H,9H2
• InChIKey: IGHNQJISBKPXBG-UHFFFAOYSA-N
• XLogP: 20.28
• TPSA: 311.96 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1717.01
LogP ≤ 5	20.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The IUPAC name of 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone (CID 158690624) is 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone.

What is the SMILES notation for 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The canonical SMILES for 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cncc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1.Cc1csc(CC(=O)c2cc(Cl)cc(Oc3cccnc3)c2)n1.O=C(Cc1ncccc1F)c1cc(F)cc(Oc2cncnc2)c1.O=C(Cc1nccs1)c1cc(Cl)cc(Oc2cccnc2)c1.

What is the InChIKey of 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

The InChIKey is IGHNQJISBKPXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C17H13ClN4O2.C17H13ClN2O2S.C17H11F2N3O2.C16H11ClN2O2S/c1-19(21,22)13-2-3-25-15(6-13)8-18(26)12-4-14(20)7-16(5-12)27-17-9-23-11-24-10-17;1-11-6-19-7-14(22-11)5-17(23)12-2-13(18)4-15(3-12)24-16-8-20-10-21-9-16;1-11-10-23-17(20-11)8-16(21)12-5-13(18)7-15(6-12)22-14-3-2-4-19-9-14;18-12-4-11(17(23)7-16-15(19)2-1-3-22-16)5-13(6-12)24-14-8-20-10-21-9-14;17-12-6-11(15(20)9-16-19-4-5-22-16)7-14(8-12)21-13-2-1-3-18-10-13/h2-7,9-11H,8H2,1H3;2-4,6-10H,5H2,1H3;2-7,9-10H,8H2,1H3;1-6,8-10H,7H2;1-8,10H,9H2.

What are the key properties of 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone?

1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 1717.01 g/mol, XLogP of 20.28, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyridin-3-yloxyphenyl)-2-(1,3-thiazol-2-yl)ethanone;1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(6-methylpyrazin-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 158690624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).