2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C26H24FN5O2 — CID 122447130

IUPAC2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cc(F)cc(-c2cccc([C@H](C)N3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)n2)c1
InChIInChI=1S/C26H24FN5O2/c1-16-11-19(13-20(27)12-16)22-6-4-5-21(29-22)18(3)31-9-10-32-24(26(31)34)8-7-23(25(32)33)30-14-17(2)28-15-30/h4-8,11-15,18H,9-10H2,1-3H3/t18-/m0/s1
InChIKeyIEYSVHXIAXMPPH-SFHVURJKSA-N
MW457.51 g/mol
LogP4.07
Rot. Bonds4

About 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 122447130) has the molecular formula C26H24FN5O2 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID122447130
Molecular FormulaC26H24FN5O2
Molecular Weight457.51 g/mol
Exact Mass457.19
IUPAC Name2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cc(F)cc(-c2cccc([C@H](C)N3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)n2)c1
InChIInChI=1S/C26H24FN5O2/c1-16-11-19(13-20(27)12-16)22-6-4-5-21(29-22)18(3)31-9-10-32-24(26(31)34)8-7-23(25(32)33)30-14-17(2)28-15-30/h4-8,11-15,18H,9-10H2,1-3H3/t18-/m0/s1
InChIKeyIEYSVHXIAXMPPH-SFHVURJKSA-N
XLogP4.07
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methylimidazol-1-yl)-2-(1,1,1-trifluorobutan-2-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 162565850
2-[(2S)-1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-yl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 66551577
7-(4-methylimidazol-1-yl)-2-[(2S)-1-[(2,2,3,3-tetrafluoro-1-benzofuran-4-yl)oxy]propan-2-yl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 88959619
2-[[3-(3-methoxyphenyl)phenyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447062
7-(4-methylimidazol-1-yl)-2-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074410
6-(3,5-difluorophenyl)-2-methoxy-3-(4-methylimidazol-1-yl)pyridine
CID 171682304
7-(4-methylimidazol-1-yl)-2-[(3-piperidin-1-ylphenyl)methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073054
2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073079
2-[[1-ethyl-5-(trifluoromethyl)indol-3-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118726370
1-hydroxy-7-(4-methylimidazol-1-yl)-2-[1-[3-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 123296008
7-(4-methylimidazol-1-yl)-2-[2-[(2,2,3,3-tetrafluoro-1H-inden-4-yl)oxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 88959665
7-(4-methylimidazol-1-yl)-2-[[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447067

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 122447130) is 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cc(F)cc(-c2cccc([C@H](C)N3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)n2)c1.
What is the InChIKey of 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is IEYSVHXIAXMPPH-SFHVURJKSA-N. The full InChI is InChI=1S/C26H24FN5O2/c1-16-11-19(13-20(27)12-16)22-6-4-5-21(29-22)18(3)31-9-10-32-24(26(31)34)8-7-23(25(32)33)30-14-17(2)28-15-30/h4-8,11-15,18H,9-10H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 457.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[6-(3-fluoro-5-methylphenyl)-2-pyridinyl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 122447130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).