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

C108H100F7N21O5S3 — CID 158666638

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

1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 158666638) has the molecular formula C108H100F7N21O5S3 and a molecular weight of 2001.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• PubChem CID: 158666638
• Molecular Formula: C108H100F7N21O5S3
• Molecular Weight: 2001.32 g/mol
• Exact Mass: 1999.73
• IUPAC Name: 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nnnn2C)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nccs2)CC1
• InChI: InChI=1S/C23H20F2N2OS.C22H20FN3OS.C21H18F2N4OS.2C21H21FN6O/c1-15-9-11-27(23-26-10-12-29-23)14-18(15)17-7-5-16(6-8-17)13-21(28)22-19(24)3-2-4-20(22)25;1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23;1-13-5-7-27(21-24-6-8-29-21)12-15(13)18-11-25-14(10-26-18)9-19(28)20-16(22)3-2-4-17(20)23;1-14-8-10-28(21-24-25-26-27(21)2)13-18(14)16-5-3-15(4-6-16)11-20(29)17-7-9-23-12-19(17)22;1-14-8-10-28(21-24-26-27(2)25-21)13-18(14)16-5-3-15(4-6-16)11-20(29)17-7-9-23-12-19(17)22/h2-8,10,12H,9,11,13-14H2,1H3;2-6,8-9,11,13H,7,10,12,14H2,1H3;2-4,6,8,10-11H,5,7,9,12H2,1H3;2*3-7,9,12H,8,10-11,13H2,1-2H3
• InChIKey: IDLBHCWVEFCTQP-UHFFFAOYSA-N
• XLogP: 20.34
• TPSA: 291.87 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 25
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2001.32
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

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

The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 158666638) is 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

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

The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nnnn2C)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nccs2)CC1.

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

The InChIKey is IDLBHCWVEFCTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2OS.C22H20FN3OS.C21H18F2N4OS.2C21H21FN6O/c1-15-9-11-27(23-26-10-12-29-23)14-18(15)17-7-5-16(6-8-17)13-21(28)22-19(24)3-2-4-20(22)25;1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23;1-13-5-7-27(21-24-6-8-29-21)12-15(13)18-11-25-14(10-26-18)9-19(28)20-16(22)3-2-4-17(20)23;1-14-8-10-28(21-24-25-26-27(21)2)13-18(14)16-5-3-15(4-6-16)11-20(29)17-7-9-23-12-19(17)22;1-14-8-10-28(21-24-26-27(2)25-21)13-18(14)16-5-3-15(4-6-16)11-20(29)17-7-9-23-12-19(17)22/h2-8,10,12H,9,11,13-14H2,1H3;2-6,8-9,11,13H,7,10,12,14H2,1H3;2-4,6,8,10-11H,5,7,9,12H2,1H3;2*3-7,9,12H,8,10-11,13H2,1-2H3.

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

1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 2001.32 g/mol, XLogP of 20.34, 25 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 158666638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).