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

C43H36F4N6O2 — CID 157272249

IUPAC2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1.Cc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C25H23F2N3O.C18H13F2N3O/c1-17-10-11-30(15-18-6-3-2-4-7-18)16-20(17)23-14-28-19(13-29-23)12-24(31)25-21(26)8-5-9-22(25)27;1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-9,13-14H,10-12,15-16H2,1H3;2-6,8-10H,7H2,1H3
InChIKeyAYRFPMBSEZOVNF-UHFFFAOYSA-N
MW744.79 g/mol
LogP8.41
Rot. Bonds10

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

2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone (PubChem CID 157272249) has the molecular formula C43H36F4N6O2 and a molecular weight of 744.79 g/mol. Its IUPAC name is 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
PubChem CID157272249
Molecular FormulaC43H36F4N6O2
Molecular Weight744.79 g/mol
Exact Mass744.28
IUPAC Name2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone
SMILESCC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1.Cc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1
InChIInChI=1S/C25H23F2N3O.C18H13F2N3O/c1-17-10-11-30(15-18-6-3-2-4-7-18)16-20(17)23-14-28-19(13-29-23)12-24(31)25-21(26)8-5-9-22(25)27;1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-9,13-14H,10-12,15-16H2,1H3;2-6,8-10H,7H2,1H3
InChIKeyAYRFPMBSEZOVNF-UHFFFAOYSA-N
XLogP8.41
TPSA101.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.79
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

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erbium(3+);2-pyridin-2-ylpyridine;tris((Z)-1,1,1-trifluoro-4-oxo-4-phenylbut-2-en-2-olate)
CID 139200635
1,1'-(4,4'-Di-tert-butyl-6,6'-bis(3-fluoro-4-methylpyridin-2-yl)-[1,1'-biphenyl]-3,3'-diyl)bis(ethan-1-one)
CID 155908949
[2-[1-[[3,5-Bis(trifluoromethyl)phenyl]methyl]-5-pyridin-4-yltriazol-4-yl]pyridin-3-yl]-(2-fluorophenyl)methanone
CID 10218519
(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxo-3-pyridin-2-ylpropan-2-yl]-N-[(4-pyridin-2-ylphenyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
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6-fluoro-3-(3-methylpyrazin-2-yl)-2-[(E)-2-pyridin-2-ylethenyl]-3H-quinolin-4-one
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[1-[[2-(4-Fluorophenyl)-4-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone
CID 19863493
[1-[[4-(4-Fluorophenyl)-2-pyridinyl]methyl]piperidin-4-yl]-phenylmethanone
CID 19863527
(3-Amino-2-pyridin-3-yl-4-pyridinyl)-(2,4-difluorophenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The IUPAC name of 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone (CID 157272249) is 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The canonical SMILES for 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone is CC1=C(c2cnc(CC(=O)c3c(F)cccc3F)cn2)CN(Cc2ccccc2)CC1.Cc1ccncc1-c1cnc(CC(=O)c2c(F)cccc2F)cn1.
What is the InChIKey of 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
The InChIKey is AYRFPMBSEZOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O.C18H13F2N3O/c1-17-10-11-30(15-18-6-3-2-4-7-18)16-20(17)23-14-28-19(13-29-23)12-24(31)25-21(26)8-5-9-22(25)27;1-11-5-6-21-9-13(11)16-10-22-12(8-23-16)7-17(24)18-14(19)3-2-4-15(18)20/h2-9,13-14H,10-12,15-16H2,1H3;2-6,8-10H,7H2,1H3.
What are the key properties of 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone?
2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone has a molecular weight of 744.79 g/mol, XLogP of 8.41, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]-1-(2,6-difluorophenyl)ethanone;1-(2,6-difluorophenyl)-2-[5-(4-methyl-3-pyridinyl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 157272249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).