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

C94H83Cl5F7N15O4 — CID 158598260

IUPAC1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3Cl)cc2)CN(c2ccccn2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2nccnc2Cl)CC1.Cl.Cl
InChIInChI=1S/C25H22ClFN2O.C23H19ClF2N4O.C23H21ClFN5O.C23H19F3N4O.2ClH/c1-17-12-14-29(24-7-2-3-13-28-24)16-20(17)19-10-8-18(9-11-19)15-23(30)25-21(26)5-4-6-22(25)27;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;1-14-3-4-17(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;1-14-7-9-30(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;;/h2-11,13H,12,14-16H2,1H3;2-6,8,11-12H,7,9-10,13H2,1H3;3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3;2-6,8,11-12H,7,9-10,13H2,1H3;2*1H
InChIKeyBRSWBDWKDZHZPN-UHFFFAOYSA-N
MW1797.05 g/mol
LogP20.61
Rot. Bonds20

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

1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride (PubChem CID 158598260) has the molecular formula C94H83Cl5F7N15O4 and a molecular weight of 1797.05 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride
PubChem CID158598260
Molecular FormulaC94H83Cl5F7N15O4
Molecular Weight1797.05 g/mol
Exact Mass1793.51
IUPAC Name1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3Cl)cc2)CN(c2ccccn2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2nccnc2Cl)CC1.Cl.Cl
InChIInChI=1S/C25H22ClFN2O.C23H19ClF2N4O.C23H21ClFN5O.C23H19F3N4O.2ClH/c1-17-12-14-29(24-7-2-3-13-28-24)16-20(17)19-10-8-18(9-11-19)15-23(30)25-21(26)5-4-6-22(25)27;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;1-14-3-4-17(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;1-14-7-9-30(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;;/h2-11,13H,12,14-16H2,1H3;2-6,8,11-12H,7,9-10,13H2,1H3;3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3;2-6,8,11-12H,7,9-10,13H2,1H3;2*1H
InChIKeyBRSWBDWKDZHZPN-UHFFFAOYSA-N
XLogP20.61
TPSA223.03 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001797.05
LogP ≤ 520.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride (CID 158598260) is 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride is CC1=C(c2ccc(CC(=O)c3c(F)cccc3Cl)cc2)CN(c2ccccn2)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2Cl)CC1.CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(c2ncccc2F)CC1.CC1=C(c2cnc(CC(=O)c3ccc(C)cc3F)cn2)CN(c2nccnc2Cl)CC1.Cl.Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride?
The InChIKey is BRSWBDWKDZHZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O.C23H19ClF2N4O.C23H21ClFN5O.C23H19F3N4O.2ClH/c1-17-12-14-29(24-7-2-3-13-28-24)16-20(17)19-10-8-18(9-11-19)15-23(30)25-21(26)5-4-6-22(25)27;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;1-14-3-4-17(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;1-14-7-9-30(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;;/h2-11,13H,12,14-16H2,1H3;2-6,8,11-12H,7,9-10,13H2,1H3;3-4,6-7,9,11-12H,5,8,10,13H2,1-2H3;2-6,8,11-12H,7,9-10,13H2,1H3;2*1H.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride?
1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride has a molecular weight of 1797.05 g/mol, XLogP of 20.61, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-2-[4-(4-methyl-1-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone;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;2-[5-[1-(3-chloro-2-pyridinyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]-1-(2,6-difluorophenyl)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;dihydrochloride is sourced from PubChem (CID 158598260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).