1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride

C94H86ClF7N14O4S — CID 158017074

About 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride

1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride (PubChem CID 158017074) has the molecular formula C94H86ClF7N14O4S and a molecular weight of 1676.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride
• PubChem CID: 158017074
• Molecular Formula: C94H86ClF7N14O4S
• Molecular Weight: 1676.32 g/mol
• Exact Mass: 1674.63
• IUPAC Name: 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride
• SMILES: CC(C)C1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)nc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2cncnc2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccn2)CC1.Cl
• InChI: InChI=1S/C25H24F2N2OS.C24H21F2N3O.C23H21FN4O.C22H19F2N5O.ClH/c1-16(2)19-10-12-29(25-28-11-13-31-25)15-20(19)18-8-6-17(7-9-18)14-23(30)24-21(26)4-3-5-22(24)27;1-16-10-12-29(23-7-2-3-11-27-23)15-19(16)17-8-9-18(28-14-17)13-22(30)24-20(25)5-4-6-21(24)26;1-16-7-9-28(19-11-26-15-27-12-19)14-21(16)18-4-2-17(3-5-18)10-23(29)20-6-8-25-13-22(20)24;1-14-6-9-29(22-25-7-3-8-26-22)13-16(14)19-12-27-15(11-28-19)10-20(30)21-17(23)4-2-5-18(21)24;/h3-9,11,13,16H,10,12,14-15H2,1-2H3;2-9,11,14H,10,12-13,15H2,1H3;2-6,8,11-13,15H,7,9-10,14H2,1H3;2-5,7-8,11-12H,6,9-10,13H2,1H3;1H
• InChIKey: YVSRICKTQOVICX-UHFFFAOYSA-N
• XLogP: 19.23
• TPSA: 210.14 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1676.32
LogP ≤ 5	19.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride?

The IUPAC name of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride (CID 158017074) is 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride.

What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride?

The canonical SMILES for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride is CC(C)C1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)nc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2cncnc2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccn2)CC1.Cl.

What is the InChIKey of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride?

The InChIKey is YVSRICKTQOVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2OS.C24H21F2N3O.C23H21FN4O.C22H19F2N5O.ClH/c1-16(2)19-10-12-29(25-28-11-13-31-25)15-20(19)18-8-6-17(7-9-18)14-23(30)24-21(26)4-3-5-22(24)27;1-16-10-12-29(23-7-2-3-11-27-23)15-19(16)17-8-9-18(28-14-17)13-22(30)24-20(25)5-4-6-21(24)26;1-16-7-9-28(19-11-26-15-27-12-19)14-21(16)18-4-2-17(3-5-18)10-23(29)20-6-8-25-13-22(20)24;1-14-6-9-29(22-25-7-3-8-26-22)13-16(14)19-12-27-15(11-28-19)10-20(30)21-17(23)4-2-5-18(21)24;/h3-9,11,13,16H,10,12,14-15H2,1-2H3;2-9,11,14H,10,12-13,15H2,1H3;2-6,8,11-13,15H,7,9-10,14H2,1H3;2-5,7-8,11-12H,6,9-10,13H2,1H3;1H.

What are the key properties of 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride?

1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride has a molecular weight of 1676.32 g/mol, XLogP of 19.23, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)-2-pyridinyl]ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-2-[4-[4-propan-2-yl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-(4-methyl-1-pyrimidin-5-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 158017074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).