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

C23H20F3N5O2 — CID 118726377

IUPAC7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C23H20F3N5O2/c1-14-10-30(13-27-14)19-5-6-20-21(32)29(7-8-31(20)22(19)33)12-15-11-28(2)18-4-3-16(9-17(15)18)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3
InChIKeyHGFAJEPTMZEYKW-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.51
Rot. Bonds3

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

7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118726377) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118726377
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1
InChIInChI=1S/C23H20F3N5O2/c1-14-10-30(13-27-14)19-5-6-20-21(32)29(7-8-31(20)22(19)33)12-15-11-28(2)18-4-3-16(9-17(15)18)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3
InChIKeyHGFAJEPTMZEYKW-UHFFFAOYSA-N
XLogP3.51
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118726377) is 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(Cc2cn(C)c4ccc(C(F)(F)F)cc24)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is HGFAJEPTMZEYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-14-10-30(13-27-14)19-5-6-20-21(32)29(7-8-31(20)22(19)33)12-15-11-28(2)18-4-3-16(9-17(15)18)23(24,25)26/h3-6,9-11,13H,7-8,12H2,1-2H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 455.44 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylimidazol-1-yl)-2-[[1-methyl-5-(trifluoromethyl)indol-3-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118726377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).