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

C110H100Cl3F6N21O5S2 — CID 159590402

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

2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone (PubChem CID 159590402) has the molecular formula C110H100Cl3F6N21O5S2 and a molecular weight of 2080.63 g/mol. Its IUPAC name is 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone
• PubChem CID: 159590402
• Molecular Formula: C110H100Cl3F6N21O5S2
• Molecular Weight: 2080.63 g/mol
• Exact Mass: 2077.66
• IUPAC Name: 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3ccccc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3sccc3C)cc2)CN(c2nccs2)CC1.CC1=C(c2cnc(CC(=O)c3cc(F)ccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccccc3Cl)cn2)CN(c2nccnc2Cl)CC1.Cn1nnc(N2CCC(Cl)=C(c3ccc(CC(=O)c4c(F)cccc4F)cc3)C2)n1
• InChI: InChI=1S/C23H19F3N4O.C22H19Cl2N5O.C22H22FN5O.C22H22N2OS2.C21H18ClF2N5O/c1-14-6-8-30(23-20(26)3-2-7-27-23)13-18(14)21-12-28-16(11-29-21)10-22(31)17-9-15(24)4-5-19(17)25;1-14-6-9-29(22-21(24)25-7-8-26-22)13-17(14)19-12-27-15(11-28-19)10-20(30)16-4-2-3-5-18(16)23;1-15-11-12-28(22-24-26-27(2)25-22)14-19(15)17-9-7-16(8-10-17)13-21(29)18-5-3-4-6-20(18)23;1-15-7-10-24(22-23-9-12-27-22)14-19(15)18-5-3-17(4-6-18)13-20(25)21-16(2)8-11-26-21;1-28-26-21(25-27-28)29-10-9-16(22)15(12-29)14-7-5-13(6-8-14)11-19(30)20-17(23)3-2-4-18(20)24/h2-5,7,9,11-12H,6,8,10,13H2,1H3;2-5,7-8,11-12H,6,9-10,13H2,1H3;3-10H,11-14H2,1-2H3;3-6,8-9,11-12H,7,10,13-14H2,1-2H3;2-8H,9-12H2,1H3
• InChIKey: MKDWENXKOSCZLB-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 291.87 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2080.63
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

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

The IUPAC name of 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone (CID 159590402) is 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone.

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

The canonical SMILES for 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone is CC1=C(c2ccc(CC(=O)c3ccccc3F)cc2)CN(c2nnn(C)n2)CC1.CC1=C(c2ccc(CC(=O)c3sccc3C)cc2)CN(c2nccs2)CC1.CC1=C(c2cnc(CC(=O)c3cc(F)ccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccccc3Cl)cn2)CN(c2nccnc2Cl)CC1.Cn1nnc(N2CCC(Cl)=C(c3ccc(CC(=O)c4c(F)cccc4F)cc3)C2)n1.

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

The InChIKey is MKDWENXKOSCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O.C22H19Cl2N5O.C22H22FN5O.C22H22N2OS2.C21H18ClF2N5O/c1-14-6-8-30(23-20(26)3-2-7-27-23)13-18(14)21-12-28-16(11-29-21)10-22(31)17-9-15(24)4-5-19(17)25;1-14-6-9-29(22-21(24)25-7-8-26-22)13-17(14)19-12-27-15(11-28-19)10-20(30)16-4-2-3-5-18(16)23;1-15-11-12-28(22-24-26-27(2)25-22)14-19(15)17-9-7-16(8-10-17)13-21(29)18-5-3-4-6-20(18)23;1-15-7-10-24(22-23-9-12-27-22)14-19(15)18-5-3-17(4-6-18)13-20(25)21-16(2)8-11-26-21;1-28-26-21(25-27-28)29-10-9-16(22)15(12-29)14-7-5-13(6-8-14)11-19(30)20-17(23)3-2-4-18(20)24/h2-5,7,9,11-12H,6,8,10,13H2,1H3;2-5,7-8,11-12H,6,9-10,13H2,1H3;3-10H,11-14H2,1-2H3;3-6,8-9,11-12H,7,10,13-14H2,1-2H3;2-8H,9-12H2,1H3.

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

2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone has a molecular weight of 2080.63 g/mol, XLogP of 21.94, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-chloro-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2-chlorophenyl)-2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,5-difluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluorophenyl)-2-[4-[4-methyl-1-(2-methyltetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 159590402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).