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

C117H111Cl2F6N19O5S — CID 158384932

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

2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride (PubChem CID 158384932) has the molecular formula C117H111Cl2F6N19O5S and a molecular weight of 2080.26 g/mol. Its IUPAC name is 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
• PubChem CID: 158384932
• Molecular Formula: C117H111Cl2F6N19O5S
• Molecular Weight: 2080.26 g/mol
• Exact Mass: 2077.80
• IUPAC Name: 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
• SMILES: CC1=C(c2ccc(CC(=O)c3cccc(F)c3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3C)cc2)CN(c2ncccc2F)CC1.CC1=C(c2ccc(CC(=O)c3cnccc3C)cc2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3cnccc3C)cn2)CN(c2ncccc2F)CC1.Cl.O=C(Cc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cc1)c1c(F)cccc1F
• InChI: InChI=1S/2C25H24FN3O.C23H22FN5O.C22H17ClF2N2OS.C22H23FN6O.ClH/c1-17-10-13-29(25-23(26)4-3-11-28-25)16-22(17)20-7-5-19(6-8-20)14-24(30)21-9-12-27-15-18(21)2;1-17-9-12-27-15-21(17)24(30)14-19-5-7-20(8-6-19)22-16-29(13-10-18(22)2)25-23(26)4-3-11-28-25;1-15-5-8-25-12-18(15)22(30)10-17-11-28-21(13-27-17)19-14-29(9-6-16(19)2)23-20(24)4-3-7-26-23;23-17-8-10-27(22-26-9-11-29-22)13-16(17)15-6-4-14(5-7-15)12-20(28)21-18(24)2-1-3-19(21)25;1-14-9-10-29(22-25-27-28(3)26-22)13-19(14)16-7-8-17(24-12-16)11-21(30)18-5-4-6-20(23)15(18)2;/h2*3-9,11-12,15H,10,13-14,16H2,1-2H3;3-5,7-8,11-13H,6,9-10,14H2,1-2H3;1-7,9,11H,8,10,12-13H2;4-8,12H,9-11,13H2,1-3H3;1H
• InChIKey: WDSXLOVSRXXYEG-UHFFFAOYSA-N
• XLogP: 23.18
• TPSA: 274.05 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.26
LogP ≤ 5	23.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride (CID 158384932) is 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride.

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

The canonical SMILES for 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride is CC1=C(c2ccc(CC(=O)c3cccc(F)c3C)nc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3C)cc2)CN(c2ncccc2F)CC1.CC1=C(c2ccc(CC(=O)c3cnccc3C)cc2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3cnccc3C)cn2)CN(c2ncccc2F)CC1.Cl.O=C(Cc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cc1)c1c(F)cccc1F.

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

The InChIKey is WDSXLOVSRXXYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24FN3O.C23H22FN5O.C22H17ClF2N2OS.C22H23FN6O.ClH/c1-17-10-13-29(25-23(26)4-3-11-28-25)16-22(17)20-7-5-19(6-8-20)14-24(30)21-9-12-27-15-18(21)2;1-17-9-12-27-15-21(17)24(30)14-19-5-7-20(8-6-19)22-16-29(13-10-18(22)2)25-23(26)4-3-11-28-25;1-15-5-8-25-12-18(15)22(30)10-17-11-28-21(13-27-17)19-14-29(9-6-16(19)2)23-20(24)4-3-7-26-23;23-17-8-10-27(22-26-9-11-29-22)13-16(17)15-6-4-14(5-7-15)12-20(28)21-18(24)2-1-3-19(21)25;1-14-9-10-29(22-25-27-28(3)26-22)13-19(14)16-7-8-17(24-12-16)11-21(30)18-5-4-6-20(23)15(18)2;/h2*3-9,11-12,15H,10,13-14,16H2,1-2H3;3-5,7-8,11-13H,6,9-10,14H2,1-2H3;1-7,9,11H,8,10,12-13H2;4-8,12H,9-11,13H2,1-3H3;1H.

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

2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride has a molecular weight of 2080.26 g/mol, XLogP of 23.18, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-2-methylphenyl)-2-[5-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]-2-pyridinyl]ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methyl-4-pyridinyl)ethanone;2-[4-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(4-methyl-3-pyridinyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride is sourced from PubChem (CID 158384932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).