7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C23H21F3N4O3 — CID 90073936

IUPAC7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C2CC(Oc4ccccc4C(F)(F)F)C2)C3=O)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-12-28(13-27-14)18-6-7-19-22(32)29(8-9-30(19)21(18)31)15-10-16(11-15)33-20-5-3-2-4-17(20)23(24,25)26/h2-7,12-13,15-16H,8-11H2,1H3
InChIKeyAOJACIPJVMFUDR-UHFFFAOYSA-N
MW458.44 g/mol
LogP3.43
Rot. Bonds4

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

7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 90073936) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID90073936
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(C2CC(Oc4ccccc4C(F)(F)F)C2)C3=O)cn1
InChIInChI=1S/C23H21F3N4O3/c1-14-12-28(13-27-14)18-6-7-19-22(32)29(8-9-30(19)21(18)31)15-10-16(11-15)33-20-5-3-2-4-17(20)23(24,25)26/h2-7,12-13,15-16H,8-11H2,1H3
InChIKeyAOJACIPJVMFUDR-UHFFFAOYSA-N
XLogP3.43
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.43
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-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 90073936) is 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(C2CC(Oc4ccccc4C(F)(F)F)C2)C3=O)cn1.
What is the InChIKey of 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is AOJACIPJVMFUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-14-12-28(13-27-14)18-6-7-19-22(32)29(8-9-30(19)21(18)31)15-10-16(11-15)33-20-5-3-2-4-17(20)23(24,25)26/h2-7,12-13,15-16H,8-11H2,1H3.
What are the key properties of 7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
7-(4-methylimidazol-1-yl)-2-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 458.44 g/mol, XLogP of 3.43, 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-[3-[2-(trifluoromethyl)phenoxy]cyclobutyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 90073936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).