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

C23H21F3N4O3 — CID 118390142

IUPAC7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2CCOc4ccc(C(F)(F)F)cc42)C3=O)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-11-29(13-27-14)18-3-4-19-21(31)28(7-8-30(19)22(18)32)12-15-6-9-33-20-5-2-16(10-17(15)20)23(24,25)26/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyHKMOYZZSTRLKOV-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.38
Rot. Bonds3

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

7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 118390142) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID118390142
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CC2CCOc4ccc(C(F)(F)F)cc42)C3=O)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-11-29(13-27-14)18-3-4-19-21(31)28(7-8-30(19)22(18)32)12-15-6-9-33-20-5-2-16(10-17(15)20)23(24,25)26/h2-5,10-11,13,15H,6-9,12H2,1H3
InChIKeyHKMOYZZSTRLKOV-UHFFFAOYSA-N
XLogP3.38
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-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-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 118390142) is 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CC2CCOc4ccc(C(F)(F)F)cc42)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is HKMOYZZSTRLKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-11-29(13-27-14)18-3-4-19-21(31)28(7-8-30(19)22(18)32)12-15-6-9-33-20-5-2-16(10-17(15)20)23(24,25)26/h2-5,10-11,13,15H,6-9,12H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 458.44 g/mol, XLogP of 3.38, 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-[[6-(trifluoromethyl)-3,4-dihydro-2H-chromen-4-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 118390142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).