2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride

C117H101Cl3F12N22O5 — CID 160758186

About 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride

2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride (PubChem CID 160758186) has the molecular formula C117H101Cl3F12N22O5 and a molecular weight of 2229.58 g/mol. Its IUPAC name is 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride.

Molecular Properties

• Compound Name: 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride
• PubChem CID: 160758186
• Molecular Formula: C117H101Cl3F12N22O5
• Molecular Weight: 2229.58 g/mol
• Exact Mass: 2226.72
• IUPAC Name: 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride
• SMILES: CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2nccnc2Cl)CC1.Cl.Cl.[C-]#[N+]c1cccnc1N1CCC(C)=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)C1
• InChI: InChI=1S/C24H19F2N5O.C24H22F2N4O.C23H21ClFN5O.C23H18F4N4O.C23H19F3N4O.2ClH/c1-15-8-10-31(24-20(27-2)7-4-9-28-24)14-17(15)21-13-29-16(12-30-21)11-22(32)23-18(25)5-3-6-19(23)26;1-15-5-6-18(21(26)10-15)23(31)11-17-12-29-22(13-28-17)19-14-30(9-7-16(19)2)24-20(25)4-3-8-27-24;1-14-3-4-17(19(25)9-14)21(31)10-16-11-29-20(12-28-16)18-13-30(8-5-15(18)2)23-22(24)26-6-7-27-23;1-13-5-6-31(23-19(27)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-17(25)3-2-4-18(22)26;1-14-7-9-30(23-19(26)6-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-17(24)4-2-5-18(22)25;;/h3-7,9,12-13H,8,10-11,14H2,1H3;3-6,8,10,12-13H,7,9,11,14H2,1-2H3;3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3;2-4,7,9-11H,5-6,8,12H2,1H3;2-6,8,11-12H,7,9-10,13H2,1H3;2*1H
• InChIKey: UWYXLXNLHVKNCX-UHFFFAOYSA-N
• XLogP: 23.63
• TPSA: 312.15 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2229.58
LogP ≤ 5	23.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride?

The IUPAC name of 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride (CID 160758186) is 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride.

What is the SMILES notation for 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride?

The canonical SMILES for 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride is CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2nccnc2Cl)CC1.Cl.Cl.[C-]#[N+]c1cccnc1N1CCC(C)=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)C1.

What is the InChIKey of 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride?

The InChIKey is UWYXLXNLHVKNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O.C24H22F2N4O.C23H21ClFN5O.C23H18F4N4O.C23H19F3N4O.2ClH/c1-15-8-10-31(24-20(27-2)7-4-9-28-24)14-17(15)21-13-29-16(12-30-21)11-22(32)23-18(25)5-3-6-19(23)26;1-15-5-6-18(21(26)10-15)23(31)11-17-12-29-22(13-28-17)19-14-30(9-7-16(19)2)24-20(25)4-3-8-27-24;1-14-3-4-17(19(25)9-14)21(31)10-16-11-29-20(12-28-16)18-13-30(8-5-15(18)2)23-22(24)26-6-7-27-23;1-13-5-6-31(23-19(27)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-17(25)3-2-4-18(22)26;1-14-7-9-30(23-19(26)6-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-17(24)4-2-5-18(22)25;;/h3-7,9,12-13H,8,10-11,14H2,1H3;3-6,8,10,12-13H,7,9,11,14H2,1-2H3;3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3;2-4,7,9-11H,5-6,8,12H2,1H3;2-6,8,11-12H,7,9-10,13H2,1H3;2*1H.

What are the key properties of 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride?

2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride has a molecular weight of 2229.58 g/mol, XLogP of 23.63, 25 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2-fluoro-4-methylphenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2,6-difluorophenyl)-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-[1-(3-isocyano-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-fluoro-4-methylphenyl)-2-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;dihydrochloride is sourced from PubChem (CID 160758186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).