2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone

C73H64ClF5N8O3 — CID 157250501

About 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone

2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone (PubChem CID 157250501) has the molecular formula C73H64ClF5N8O3 and a molecular weight of 1231.81 g/mol. Its IUPAC name is 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
• PubChem CID: 157250501
• Molecular Formula: C73H64ClF5N8O3
• Molecular Weight: 1231.81 g/mol
• Exact Mass: 1230.47
• IUPAC Name: 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2cnccn2)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2Cl)CC1.CC1=C(c2ccc(CC(=O)c3ccccc3F)cc2)CN(c2ccccn2)CC1
• InChI: InChI=1S/C25H23FN2O.C24H20ClF2N3O.C24H21F2N3O/c1-18-13-15-28(25-8-4-5-14-27-25)17-22(18)20-11-9-19(10-12-20)16-24(29)21-6-2-3-7-23(21)26;1-15-9-12-30(24-23(25)28-10-11-29-24)14-18(15)17-7-5-16(6-8-17)13-21(31)22-19(26)3-2-4-20(22)27;1-16-9-12-29(23-14-27-10-11-28-23)15-19(16)18-7-5-17(6-8-18)13-22(30)24-20(25)3-2-4-21(24)26/h2-12,14H,13,15-17H2,1H3;2-8,10-11H,9,12-14H2,1H3;2-8,10-11,14H,9,12-13,15H2,1H3
• InChIKey: AWGZUZITDQOIPA-UHFFFAOYSA-N
• XLogP: 15.71
• TPSA: 125.38 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1231.81
LogP ≤ 5	15.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone (CID 157250501) is 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone.

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

The canonical SMILES for 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2cnccn2)CC1.CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nccnc2Cl)CC1.CC1=C(c2ccc(CC(=O)c3ccccc3F)cc2)CN(c2ccccn2)CC1.

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

The InChIKey is AWGZUZITDQOIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O.C24H20ClF2N3O.C24H21F2N3O/c1-18-13-15-28(25-8-4-5-14-27-25)17-22(18)20-11-9-19(10-12-20)16-24(29)21-6-2-3-7-23(21)26;1-15-9-12-30(24-23(25)28-10-11-29-24)14-18(15)17-7-5-16(6-8-17)13-21(31)22-19(26)3-2-4-20(22)27;1-16-9-12-29(23-14-27-10-11-28-23)15-19(16)18-7-5-17(6-8-18)13-22(30)24-20(25)3-2-4-21(24)26/h2-12,14H,13,15-17H2,1H3;2-8,10-11H,9,12-14H2,1H3;2-8,10-11,14H,9,12-13,15H2,1H3.

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

2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone has a molecular weight of 1231.81 g/mol, XLogP of 15.71, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(3-chloropyrazin-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[4-(4-methyl-1-pyrazin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;1-(2-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone is sourced from PubChem (CID 157250501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).