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

C108H91Cl6F10N19O5S3 — CID 158866110

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

1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride (PubChem CID 158866110) has the molecular formula C108H91Cl6F10N19O5S3 and a molecular weight of 2233.94 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride
• PubChem CID: 158866110
• Molecular Formula: C108H91Cl6F10N19O5S3
• Molecular Weight: 2233.94 g/mol
• Exact Mass: 2229.46
• IUPAC Name: 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride
• SMILES: CC1=C(c2ccc(CC(=O)c3cccc(F)c3Cl)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3cc(F)ccc3Cl)cn2)CN(c2nccs2)CC1.Cl.Cl.O=C(Cc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cc1)c1c(F)cccc1F.O=C(Cc1cnc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1c(F)cccc1F
• InChI: InChI=1S/C23H18F4N4O.C22H17ClF2N2OS.C22H21ClFN5O.C21H18ClFN4OS.C20H15ClF2N4OS.2ClH/c1-13-4-6-31(23-17(25)3-2-5-28-23)12-16(13)20-11-29-15(10-30-20)9-21(32)22-18(26)7-14(24)8-19(22)27;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;1-14-10-11-29(22-25-27-28(2)26-22)13-18(14)16-8-6-15(7-9-16)12-20(30)17-4-3-5-19(24)21(17)23;1-13-4-6-27(21-24-5-7-29-21)12-17(13)19-11-25-15(10-26-19)9-20(28)16-8-14(23)2-3-18(16)22;21-14-4-6-27(20-24-5-7-29-20)11-13(14)17-10-25-12(9-26-17)8-18(28)19-15(22)2-1-3-16(19)23;;/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3;1-7,9,11H,8,10,12-13H2;3-9H,10-13H2,1-2H3;2-3,5,7-8,10-11H,4,6,9,12H2,1H3;1-3,5,7,9-10H,4,6,8,11H2;2*1H
• InChIKey: SJBHNBZBXNUVKF-UHFFFAOYSA-N
• XLogP: 24.53
• TPSA: 274.05 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 25
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2233.94
LogP ≤ 5	24.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride (CID 158866110) is 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride.

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

The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride is CC1=C(c2ccc(CC(=O)c3cccc(F)c3Cl)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cc(F)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3cc(F)ccc3Cl)cn2)CN(c2nccs2)CC1.Cl.Cl.O=C(Cc1ccc(C2=C(Cl)CCN(c3nccs3)C2)cc1)c1c(F)cccc1F.O=C(Cc1cnc(C2=C(Cl)CCN(c3nccs3)C2)cn1)c1c(F)cccc1F.

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

The InChIKey is SJBHNBZBXNUVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O.C22H17ClF2N2OS.C22H21ClFN5O.C21H18ClFN4OS.C20H15ClF2N4OS.2ClH/c1-13-4-6-31(23-17(25)3-2-5-28-23)12-16(13)20-11-29-15(10-30-20)9-21(32)22-18(26)7-14(24)8-19(22)27;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;1-14-10-11-29(22-25-27-28(2)26-22)13-18(14)16-8-6-15(7-9-16)12-20(30)17-4-3-5-19(24)21(17)23;1-13-4-6-27(21-24-5-7-29-21)12-17(13)19-11-25-15(10-26-19)9-20(28)16-8-14(23)2-3-18(16)22;21-14-4-6-27(20-24-5-7-29-20)11-13(14)17-10-25-12(9-26-17)8-18(28)19-15(22)2-1-3-16(19)23;;/h2-3,5,7-8,10-11H,4,6,9,12H2,1H3;1-7,9,11H,8,10,12-13H2;3-9H,10-13H2,1-2H3;2-3,5,7-8,10-11H,4,6,9,12H2,1H3;1-3,5,7,9-10H,4,6,8,11H2;2*1H.

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

1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride has a molecular weight of 2233.94 g/mol, XLogP of 24.53, 25 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-3-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2-chloro-5-fluorophenyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;2-[4-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[4-chloro-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,4,6-trifluorophenyl)ethanone;dihydrochloride is sourced from PubChem (CID 158866110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).