2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide

C89H72Cl2F4N18O5S2 — CID 158233285

About 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide

2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide (PubChem CID 158233285) has the molecular formula C89H72Cl2F4N18O5S2 and a molecular weight of 1684.71 g/mol. Its IUPAC name is 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide.

Molecular Properties

• Compound Name: 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide
• PubChem CID: 158233285
• Molecular Formula: C89H72Cl2F4N18O5S2
• Molecular Weight: 1684.71 g/mol
• Exact Mass: 1682.47
• IUPAC Name: 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide
• SMILES: CCc1sc(-c2cc(C)on2)nc1-c1ccc(C(=O)Nc2cncnc2C)cc1.CCc1sc(-c2cnc(C)cn2)nc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.Cn1cc(-c2ccc(Cl)c(-c3cnc(CC(=O)c4ccc(F)cc4F)cn3)c2)cn1.Cn1cc(-c2ccc(Cl)c(-c3cnc(CC(=O)c4cccc(F)c4F)cn3)c2)cn1
• InChI: InChI=1S/C24H23N5OS.2C22H15ClF2N4O.C21H19N5O2S/c1-5-21-22(29-24(31-21)20-13-26-16(4)11-27-20)17-6-8-18(9-7-17)23(30)28-19-12-25-15(3)10-14(19)2;1-29-12-14(9-28-29)13-2-5-19(23)18(6-13)21-11-26-16(10-27-21)8-22(30)17-4-3-15(24)7-20(17)25;1-29-12-14(9-28-29)13-5-6-18(23)17(7-13)20-11-26-15(10-27-20)8-21(30)16-3-2-4-19(24)22(16)25;1-4-18-19(25-21(29-18)16-9-12(2)28-26-16)14-5-7-15(8-6-14)20(27)24-17-10-22-11-23-13(17)3/h6-13H,5H2,1-4H3,(H,28,30);2*2-7,9-12H,8H2,1H3;5-11H,4H2,1-3H3,(H,24,27)
• InChIKey: GEQJUOMWSIAFTM-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 295.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1684.71
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide?

The IUPAC name of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide (CID 158233285) is 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide.

What is the SMILES notation for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide?

The canonical SMILES for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide is CCc1sc(-c2cc(C)on2)nc1-c1ccc(C(=O)Nc2cncnc2C)cc1.CCc1sc(-c2cnc(C)cn2)nc1-c1ccc(C(=O)Nc2cnc(C)cc2C)cc1.Cn1cc(-c2ccc(Cl)c(-c3cnc(CC(=O)c4ccc(F)cc4F)cn3)c2)cn1.Cn1cc(-c2ccc(Cl)c(-c3cnc(CC(=O)c4cccc(F)c4F)cn3)c2)cn1.

What is the InChIKey of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide?

The InChIKey is GEQJUOMWSIAFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS.2C22H15ClF2N4O.C21H19N5O2S/c1-5-21-22(29-24(31-21)20-13-26-16(4)11-27-20)17-6-8-18(9-7-17)23(30)28-19-12-25-15(3)10-14(19)2;1-29-12-14(9-28-29)13-2-5-19(23)18(6-13)21-11-26-16(10-27-21)8-22(30)17-4-3-15(24)7-20(17)25;1-29-12-14(9-28-29)13-5-6-18(23)17(7-13)20-11-26-15(10-27-20)8-21(30)16-3-2-4-19(24)22(16)25;1-4-18-19(25-21(29-18)16-9-12(2)28-26-16)14-5-7-15(8-6-14)20(27)24-17-10-22-11-23-13(17)3/h6-13H,5H2,1-4H3,(H,28,30);2*2-7,9-12H,8H2,1H3;5-11H,4H2,1-3H3,(H,24,27).

What are the key properties of 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide?

2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide has a molecular weight of 1684.71 g/mol, XLogP of 19.89, 20 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,3-difluorophenyl)ethanone;2-[5-[2-chloro-5-(1-methylpyrazol-4-yl)phenyl]pyrazin-2-yl]-1-(2,4-difluorophenyl)ethanone;N-(4,6-dimethyl-3-pyridinyl)-4-[5-ethyl-2-(5-methylpyrazin-2-yl)-1,3-thiazol-4-yl]benzamide;4-[5-ethyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 158233285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).