2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone

C90H70BrF6N15O10S — CID 159776428

About 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone

2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone (PubChem CID 159776428) has the molecular formula C90H70BrF6N15O10S and a molecular weight of 1747.60 g/mol. Its IUPAC name is 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone.

Molecular Properties

• Compound Name: 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
• PubChem CID: 159776428
• Molecular Formula: C90H70BrF6N15O10S
• Molecular Weight: 1747.60 g/mol
• Exact Mass: 1745.42
• IUPAC Name: 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone
• SMILES: CC(F)(F)c1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cc(Oc2cncnc2)cc(C(=O)Cc2cc(F)ccn2)c1.Cc1ccc(CC(=O)c2cc(C)cc(Oc3cncnc3)c2)nc1.O=C(Cc1cc(Br)ccn1)c1cc(F)cc(Oc2cncnc2)c1
• InChI: InChI=1S/C19H16FN3O2.C19H17N3O2.C18H14FN3O2.C17H11BrFN3O2.C17H12F3N3O2S/c1-2-13-3-4-23-16(5-13)9-19(24)14-6-15(20)8-17(7-14)25-18-10-21-12-22-11-18;1-13-3-4-16(22-9-13)8-19(23)15-5-14(2)6-17(7-15)24-18-10-20-12-21-11-18;1-12-4-13(18(23)8-15-7-14(19)2-3-22-15)6-16(5-12)24-17-9-20-11-21-10-17;18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13/h3-8,10-12H,2,9H2,1H3;3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;1-6,8-10H,7H2;2-4,6-9H,5H2,1H3
• InChIKey: NGUMACYPKTZVKD-UHFFFAOYSA-N
• XLogP: 19.43
• TPSA: 324.85 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1747.60
LogP ≤ 5	19.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

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

The IUPAC name of 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone (CID 159776428) is 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone.

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

The canonical SMILES for 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone is CC(F)(F)c1csc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)n1.CCc1ccnc(CC(=O)c2cc(F)cc(Oc3cncnc3)c2)c1.Cc1cc(Oc2cncnc2)cc(C(=O)Cc2cc(F)ccn2)c1.Cc1ccc(CC(=O)c2cc(C)cc(Oc3cncnc3)c2)nc1.O=C(Cc1cc(Br)ccn1)c1cc(F)cc(Oc2cncnc2)c1.

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

The InChIKey is NGUMACYPKTZVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2.C19H17N3O2.C18H14FN3O2.C17H11BrFN3O2.C17H12F3N3O2S/c1-2-13-3-4-23-16(5-13)9-19(24)14-6-15(20)8-17(7-14)25-18-10-21-12-22-11-18;1-13-3-4-16(22-9-13)8-19(23)15-5-14(2)6-17(7-15)24-18-10-20-12-21-11-18;1-12-4-13(18(23)8-15-7-14(19)2-3-22-15)6-16(5-12)24-17-9-20-11-21-10-17;18-12-1-2-22-14(5-12)7-17(23)11-3-13(19)6-15(4-11)24-16-8-20-10-21-9-16;1-17(19,20)15-8-26-16(23-15)5-14(24)10-2-11(18)4-12(3-10)25-13-6-21-9-22-7-13/h3-8,10-12H,2,9H2,1H3;3-7,9-12H,8H2,1-2H3;2-7,9-11H,8H2,1H3;1-6,8-10H,7H2;2-4,6-9H,5H2,1H3.

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

2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone has a molecular weight of 1747.60 g/mol, XLogP of 19.43, 27 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-bromo-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-[4-(1,1-difluoroethyl)-1,3-thiazol-2-yl]-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-ethyl-2-pyridinyl)-1-(3-fluoro-5-pyrimidin-5-yloxyphenyl)ethanone;2-(4-fluoro-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone;2-(5-methyl-2-pyridinyl)-1-(3-methyl-5-pyrimidin-5-yloxyphenyl)ethanone is sourced from PubChem (CID 159776428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).