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

C24H23F3N4O3 — CID 90073887

IUPAC7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4ccc(C(F)(F)F)cc4)O2)C3=O)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-7-8-20-22(32)29(10-11-31(20)23(19)33)13-18-6-9-21(34-18)16-2-4-17(5-3-16)24(25,26)27/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
InChIKeyJOJOCAYSEQYLGK-GHTZIAJQSA-N
MW472.47 g/mol
LogP3.74
Rot. Bonds4

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

7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90073887) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID90073887
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4ccc(C(F)(F)F)cc4)O2)C3=O)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-7-8-20-22(32)29(10-11-31(20)23(19)33)13-18-6-9-21(34-18)16-2-4-17(5-3-16)24(25,26)27/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1
InChIKeyJOJOCAYSEQYLGK-GHTZIAJQSA-N
XLogP3.74
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90073887) is 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(C[C@@H]2CC[C@H](c4ccc(C(F)(F)F)cc4)O2)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is JOJOCAYSEQYLGK-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-12-30(14-28-15)19-7-8-20-22(32)29(10-11-31(20)23(19)33)13-18-6-9-21(34-18)16-2-4-17(5-3-16)24(25,26)27/h2-5,7-8,12,14,18,21H,6,9-11,13H2,1H3/t18-,21+/m0/s1.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 472.47 g/mol, XLogP of 3.74, 4 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-[[(2S,5R)-5-[4-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90073887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).