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

C93H83Cl2F6N17O4S3 — CID 159076404

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

1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone (PubChem CID 159076404) has the molecular formula C93H83Cl2F6N17O4S3 and a molecular weight of 1783.90 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone
• PubChem CID: 159076404
• Molecular Formula: C93H83Cl2F6N17O4S3
• Molecular Weight: 1783.90 g/mol
• Exact Mass: 1781.53
• IUPAC Name: 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(Cl)cs2)CC1.CC1=C(c2ccc(CC(=O)c3cc(F)ccc3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3Cl)cn2)CN(c2ncc(C)s2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nc(-c3cccnc3)cs2)CC1
• InChI: InChI=1S/C26H21F2N5OS.C23H19ClF2N2OS.C22H20ClFN4OS.C22H23FN6O/c1-16-7-9-33(26-32-23(15-35-26)17-4-3-8-29-11-17)14-19(16)22-13-30-18(12-31-22)10-24(34)25-20(27)5-2-6-21(25)28;1-14-9-10-28(23-27-21(24)13-30-23)12-17(14)16-7-5-15(6-8-16)11-20(29)22-18(25)3-2-4-19(22)26;1-13-6-7-28(22-27-9-14(2)30-22)12-16(13)19-11-25-15(10-26-19)8-20(29)21-17(23)4-3-5-18(21)24;1-14-4-6-17(23)10-19(14)21(30)11-18-7-5-16(12-24-18)20-13-29(9-8-15(20)2)22-25-27-28(3)26-22/h2-6,8,11-13,15H,7,9-10,14H2,1H3;2-8,13H,9-12H2,1H3;3-5,9-11H,6-8,12H2,1-2H3;4-7,10,12H,8-9,11,13H2,1-3H3
• InChIKey: KAHPJFOAQSQOHP-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 240.85 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.90
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone (CID 159076404) is 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone.

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

The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(Cl)cs2)CC1.CC1=C(c2ccc(CC(=O)c3cc(F)ccc3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3Cl)cn2)CN(c2ncc(C)s2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nc(-c3cccnc3)cs2)CC1.

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

The InChIKey is KAHPJFOAQSQOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5OS.C23H19ClF2N2OS.C22H20ClFN4OS.C22H23FN6O/c1-16-7-9-33(26-32-23(15-35-26)17-4-3-8-29-11-17)14-19(16)22-13-30-18(12-31-22)10-24(34)25-20(27)5-2-6-21(25)28;1-14-9-10-28(23-27-21(24)13-30-23)12-17(14)16-7-5-15(6-8-16)11-20(29)22-18(25)3-2-4-19(22)26;1-13-6-7-28(22-27-9-14(2)30-22)12-16(13)19-11-25-15(10-26-19)8-20(29)21-17(23)4-3-5-18(21)24;1-14-4-6-17(23)10-19(14)21(30)11-18-7-5-16(12-24-18)20-13-29(9-8-15(20)2)22-25-27-28(3)26-22/h2-6,8,11-13,15H,7,9-10,14H2,1H3;2-8,13H,9-12H2,1H3;3-5,9-11H,6-8,12H2,1-2H3;4-7,10,12H,8-9,11,13H2,1-3H3.

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

1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone has a molecular weight of 1783.90 g/mol, XLogP of 19.87, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-6-fluorophenyl)-2-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[1-(4-chloro-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[4-methyl-1-(4-pyridin-3-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(5-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone is sourced from PubChem (CID 159076404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).