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

C70H51ClF6N12O8S — CID 123865526

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone (PubChem CID 123865526) has the molecular formula C70H51ClF6N12O8S and a molecular weight of 1369.76 g/mol. Its IUPAC name is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone
• PubChem CID: 123865526
• Molecular Formula: C70H51ClF6N12O8S
• Molecular Weight: 1369.76 g/mol
• Exact Mass: 1368.33
• IUPAC Name: 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone
• SMILES: CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.O=C(Cc1ccccn1)c1cc(F)cc(Oc2cncnc2)c1
• InChI: InChI=1S/C19H14F3N3O2.C18H14FN3O2.C17H12FN3O2.C16H11ClFN3O2S/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;1-12-3-2-4-15(22-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;18-13-5-12(17(22)8-14-3-1-2-4-21-14)6-15(7-13)23-16-9-19-11-20-10-16;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;1-7,9-11H,8H2;2-4,6-8H,5H2,1H3
• InChIKey: ZVZJSJZGBNJMLC-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 259.88 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 21
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1369.76
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone (CID 123865526) is 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone.

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

The canonical SMILES for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone is CC(F)(F)c1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cccc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.Cc1nc(CC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)sc1F.O=C(Cc1ccccn1)c1cc(F)cc(Oc2cncnc2)c1.

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

The InChIKey is ZVZJSJZGBNJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2.C18H14FN3O2.C17H12FN3O2.C16H11ClFN3O2S/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;1-12-3-2-4-15(22-12)8-18(23)13-5-14(19)7-16(6-13)24-17-9-20-11-21-10-17;18-13-5-12(17(22)8-14-3-1-2-4-21-14)6-15(7-13)23-16-9-19-11-20-10-16;1-9-16(18)24-15(21-9)5-14(22)10-2-11(17)4-12(3-10)23-13-6-19-8-20-7-13/h2-7,9-11H,8H2,1H3;2-7,9-11H,8H2,1H3;1-7,9-11H,8H2;2-4,6-8H,5H2,1H3.

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

1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone has a molecular weight of 1369.76 g/mol, XLogP of 15.36, 21 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-5-pyrimidin-5-yloxyphenyl)-2-(5-fluoro-4-methyl-1,3-thiazol-2-yl)ethanone;2-[4-(1,1-difluoroethyl)-2-pyridinyl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-(6-methyl-2-pyridinyl)ethanone;1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-2-pyridin-2-ylethanone is sourced from PubChem (CID 123865526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).