4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride

C111H99BrCl4F10N24O5S2 — CID 159484584

About 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride

4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride (PubChem CID 159484584) has the molecular formula C111H99BrCl4F10N24O5S2 and a molecular weight of 2325.01 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride.

Molecular Properties

• Compound Name: 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride
• PubChem CID: 159484584
• Molecular Formula: C111H99BrCl4F10N24O5S2
• Molecular Weight: 2325.01 g/mol
• Exact Mass: 2320.54
• IUPAC Name: 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride
• SMILES: CC1=C(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CN(c2ccccn2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cc(Br)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1.CC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2ncc(C)s2)CC1.CCc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1.Cl.Cl
• InChI: InChI=1S/C23H20Cl2N4O.C22H17BrF3N5O.C22H17F4N5O.C22H21F2N5OS.C22H22FN5OS.2ClH/c1-15-9-11-29(21-4-2-3-10-27-21)14-18(15)16-5-7-17(8-6-16)28-23(30)22-19(24)12-26-13-20(22)25;1-12-4-6-31(21-15(24)3-2-5-27-21)11-14(12)18-9-29-19(10-28-18)30-22(32)20-16(25)7-13(23)8-17(20)26;1-12-5-6-31(21-17(26)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-15(24)3-2-4-16(20)25;1-3-14-9-27-22(31-14)29-8-7-13(2)15(12-29)18-10-26-19(11-25-18)28-21(30)20-16(23)5-4-6-17(20)24;1-13-7-8-28(22-26-9-14(2)30-22)12-17(13)19-10-25-20(11-24-19)27-21(29)16-5-4-6-18(23)15(16)3;;/h2-8,10,12-13H,9,11,14H2,1H3,(H,28,30);2-3,5,7-10H,4,6,11H2,1H3,(H,29,30,32);2-4,7-10H,5-6,11H2,1H3,(H,28,30,32);4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,28,30);4-6,9-11H,7-8,12H2,1-3H3,(H,25,27,29);2*1H
• InChIKey: YZIGBYVNQYQGLM-UHFFFAOYSA-N
• XLogP: 25.25
• TPSA: 342.16 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 26
• Rotatable Bonds: 21
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2325.01
LogP ≤ 5	25.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride?

The IUPAC name of 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride (CID 159484584) is 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride.

What is the SMILES notation for 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride?

The canonical SMILES for 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride is CC1=C(c2ccc(NC(=O)c3c(Cl)cncc3Cl)cc2)CN(c2ccccn2)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cc(Br)cc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(NC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(F)cc2F)CC1.CC1=C(c2cnc(NC(=O)c3cccc(F)c3C)cn2)CN(c2ncc(C)s2)CC1.CCc1cnc(N2CCC(C)=C(c3cnc(NC(=O)c4c(F)cccc4F)cn3)C2)s1.Cl.Cl.

What is the InChIKey of 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride?

The InChIKey is YZIGBYVNQYQGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N4O.C22H17BrF3N5O.C22H17F4N5O.C22H21F2N5OS.C22H22FN5OS.2ClH/c1-15-9-11-29(21-4-2-3-10-27-21)14-18(15)16-5-7-17(8-6-16)28-23(30)22-19(24)12-26-13-20(22)25;1-12-4-6-31(21-15(24)3-2-5-27-21)11-14(12)18-9-29-19(10-28-18)30-22(32)20-16(25)7-13(23)8-17(20)26;1-12-5-6-31(21-17(26)7-13(23)8-29-21)11-14(12)18-9-28-19(10-27-18)30-22(32)20-15(24)3-2-4-16(20)25;1-3-14-9-27-22(31-14)29-8-7-13(2)15(12-29)18-10-26-19(11-25-18)28-21(30)20-16(23)5-4-6-17(20)24;1-13-7-8-28(22-26-9-14(2)30-22)12-17(13)19-10-25-20(11-24-19)27-21(29)16-5-4-6-18(23)15(16)3;;/h2-8,10,12-13H,9,11,14H2,1H3,(H,28,30);2-3,5,7-10H,4,6,11H2,1H3,(H,29,30,32);2-4,7-10H,5-6,11H2,1H3,(H,28,30,32);4-6,9-11H,3,7-8,12H2,1-2H3,(H,26,28,30);4-6,9-11H,7-8,12H2,1-3H3,(H,25,27,29);2*1H.

What are the key properties of 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride?

4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride has a molecular weight of 2325.01 g/mol, XLogP of 25.25, 21 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2,6-difluoro-N-[5-[1-(3-fluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;3,5-dichloro-N-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]pyridine-4-carboxamide;N-[5-[1-(3,5-difluoro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;N-[5-[1-(5-ethyl-1,3-thiazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-2,6-difluorobenzamide;3-fluoro-2-methyl-N-[5-[4-methyl-1-(5-methyl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]benzamide;dihydrochloride is sourced from PubChem (CID 159484584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).