2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H20F6N4O2 — CID 118073079

IUPAC2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC2)C3=O)cn1
InChIInChI=1S/C24H20F6N4O2/c1-14-11-33(13-31-14)18-2-3-19-20(35)32(6-7-34(19)21(18)36)12-22(4-5-22)15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-3,8-11,13H,4-7,12H2,1H3
InChIKeyQPTYXIXTBITUQK-UHFFFAOYSA-N
MW510.44 g/mol
LogP4.57
Rot. Bonds4

About 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118073079) has the molecular formula C24H20F6N4O2 and a molecular weight of 510.44 g/mol. Its IUPAC name is 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118073079
Molecular FormulaC24H20F6N4O2
Molecular Weight510.44 g/mol
Exact Mass510.15
IUPAC Name2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC2)C3=O)cn1
InChIInChI=1S/C24H20F6N4O2/c1-14-11-33(13-31-14)18-2-3-19-20(35)32(6-7-34(19)21(18)36)12-22(4-5-22)15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-3,8-11,13H,4-7,12H2,1H3
InChIKeyQPTYXIXTBITUQK-UHFFFAOYSA-N
XLogP4.57
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.44
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(1aS,6bS)-3-fluoro-1a-methyl-5-(trifluoromethyl)-1H-cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122439877
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
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
7-(4-methylimidazol-1-yl)-2-prop-2-enyl-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074410
7-(4-methylimidazol-1-yl)-2-[[1-(trifluoromethyl)-1,1a-dihydrocyclopropa[b][1]benzofuran-6b-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 126738562
2-[[(1aR)-6-[1-(trifluoromethyl)cyclopropyl]-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389855
(3S)-2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-methyl-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118073139
7-(4-methylimidazol-1-yl)-2-[[2-[4-(trifluoromethyl)phenoxy]-1,3-thiazol-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122447051
2-[[(1aS,6bS)-1a-methyl-5-(trifluoromethoxy)-1H-cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122439908
2-[[4-fluoro-1a-methyl-5-(trifluoromethoxy)-1H-cyclopropa[b][1]benzofuran-6b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 122439895
2-[(2R)-5-[3,5-difluoro-4-(trifluoromethyl)phenyl]-2-hydroxypent-4-ynyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90073913
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 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) is 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CC2(c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC2)C3=O)cn1.
What is the InChIKey of 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is QPTYXIXTBITUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N4O2/c1-14-11-33(13-31-14)18-2-3-19-20(35)32(6-7-34(19)21(18)36)12-22(4-5-22)15-8-16(23(25,26)27)10-17(9-15)24(28,29)30/h2-3,8-11,13H,4-7,12H2,1H3.
What are the key properties of 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 510.44 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3,5-bis(trifluoromethyl)phenyl]cyclopropyl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118073079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).