1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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

C73H61ClF7N13O4S — CID 158248743

About 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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 (PubChem CID 158248743) has the molecular formula C73H61ClF7N13O4S and a molecular weight of 1384.88 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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.

Molecular Properties

• Compound Name: 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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
• PubChem CID: 158248743
• Molecular Formula: C73H61ClF7N13O4S
• Molecular Weight: 1384.88 g/mol
• Exact Mass: 1383.43
• IUPAC Name: 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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
• SMILES: CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nc(-c3cccnc3)cs2)CC1.CC1=C(c2cnc(CC(=O)c3ccc(F)cc3Cl)cn2)CN(c2ncccc2F)CC1.COc1cc(F)c(C(=O)Cc2cnc(C3=C(C)CCN(c4ncccc4F)C3)cn2)c(F)c1
• InChI: InChI=1S/C26H21F2N5OS.C24H21F3N4O2.C23H19ClF2N4O/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;1-14-5-7-31(24-18(25)4-3-6-28-24)13-17(14)21-12-29-15(11-30-21)8-22(32)23-19(26)9-16(33-2)10-20(23)27;1-14-6-8-30(23-20(26)3-2-7-27-23)13-18(14)21-12-28-16(11-29-21)10-22(31)17-5-4-15(25)9-19(17)24/h2-6,8,11-13,15H,7,9-10,14H2,1H3;3-4,6,9-12H,5,7-8,13H2,1-2H3;2-5,7,9,11-12H,6,8,10,13H2,1H3
• InChIKey: GGLHIHNIUMWDKS-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 199.06 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1384.88
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

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

The IUPAC name of 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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 (CID 158248743) is 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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.

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

The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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 is CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2nc(-c3cccnc3)cs2)CC1.CC1=C(c2cnc(CC(=O)c3ccc(F)cc3Cl)cn2)CN(c2ncccc2F)CC1.COc1cc(F)c(C(=O)Cc2cnc(C3=C(C)CCN(c4ncccc4F)C3)cn2)c(F)c1.

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

The InChIKey is GGLHIHNIUMWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F2N5OS.C24H21F3N4O2.C23H19ClF2N4O/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;1-14-5-7-31(24-18(25)4-3-6-28-24)13-17(14)21-12-29-15(11-30-21)8-22(32)23-19(26)9-16(33-2)10-20(23)27;1-14-6-8-30(23-20(26)3-2-7-27-23)13-18(14)21-12-28-16(11-29-21)10-22(31)17-5-4-15(25)9-19(17)24/h2-6,8,11-13,15H,7,9-10,14H2,1H3;3-4,6,9-12H,5,7-8,13H2,1-2H3;2-5,7,9,11-12H,6,8,10,13H2,1H3.

What are the key properties of 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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 has a molecular weight of 1384.88 g/mol, XLogP of 14.70, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-chloro-4-fluorophenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluoro-4-methoxyphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]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 is sourced from PubChem (CID 158248743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).