2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

C119H99BrCl2F11N19O5 — CID 157295018

About 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 157295018) has the molecular formula C119H99BrCl2F11N19O5 and a molecular weight of 2235.02 g/mol. Its IUPAC name is 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• PubChem CID: 157295018
• Molecular Formula: C119H99BrCl2F11N19O5
• Molecular Weight: 2235.02 g/mol
• Exact Mass: 2231.65
• IUPAC Name: 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2F)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2N)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Br)CC1.[C-]#[N+]c1nccnc1N1CCC(C)=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)C1
• InChI: InChI=1S/C25H20F2N4O.C24H20F3N3O.C24H22F2N4O.C23H19BrF2N4O.C23H18Cl2F2N4O/c1-16-10-13-31(25-24(28-2)29-11-12-30-25)15-19(16)18-8-6-17(7-9-18)14-22(32)23-20(26)4-3-5-21(23)27;2*1-15-9-12-30(24-23(27)28-10-11-29-24)14-18(15)17-7-5-16(6-8-17)13-21(31)22-19(25)3-2-4-20(22)26;1-14-7-9-30(23-17(24)4-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-18(25)5-2-6-19(22)26;1-13-5-6-31(23-17(25)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-18(26)3-2-4-19(22)27/h3-9,11-12H,10,13-15H2,1H3;2-8,10-11H,9,12-14H2,1H3;2-8,10-11H,9,12-14H2,1H3,(H2,27,28);2-6,8,11-12H,7,9-10,13H2,1H3;2-4,7,9-11H,5-6,8,12H2,1H3
• InChIKey: BBGCERDWYYVRJM-UHFFFAOYSA-N
• XLogP: 25.45
• TPSA: 286.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2235.02
LogP ≤ 5	25.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The IUPAC name of 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 157295018) is 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

What is the SMILES notation for 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The canonical SMILES for 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2F)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2N)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncc(Cl)cc2Cl)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Br)CC1.[C-]#[N+]c1nccnc1N1CCC(C)=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)C1.

What is the InChIKey of 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The InChIKey is BBGCERDWYYVRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N4O.C24H20F3N3O.C24H22F2N4O.C23H19BrF2N4O.C23H18Cl2F2N4O/c1-16-10-13-31(25-24(28-2)29-11-12-30-25)15-19(16)18-8-6-17(7-9-18)14-22(32)23-20(26)4-3-5-21(23)27;2*1-15-9-12-30(24-23(27)28-10-11-29-24)14-18(15)17-7-5-16(6-8-17)13-21(31)22-19(25)3-2-4-20(22)26;1-14-7-9-30(23-17(24)4-3-8-27-23)13-16(14)20-12-28-15(11-29-20)10-21(31)22-18(25)5-2-6-19(22)26;1-13-5-6-31(23-17(25)7-14(24)9-30-23)12-16(13)20-11-28-15(10-29-20)8-21(32)22-18(26)3-2-4-19(22)27/h3-9,11-12H,10,13-15H2,1H3;2-8,10-11H,9,12-14H2,1H3;2-8,10-11H,9,12-14H2,1H3,(H2,27,28);2-6,8,11-12H,7,9-10,13H2,1H3;2-4,7,9-11H,5-6,8,12H2,1H3.

What are the key properties of 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 2235.02 g/mol, XLogP of 25.45, 25 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(3-aminopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3-bromo-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;2-[5-[1-(3,5-dichloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-fluoropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(2,6-difluorophenyl)-2-[4-[1-(3-isocyanopyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 157295018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).