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

C23H20F4N4O3 — CID 88959665

IUPAC7-(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
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2cccc4c2C(F)(F)C(F)(F)C4)C3=O)cn1
InChIInChI=1S/C23H20F4N4O3/c1-14-12-30(13-28-14)16-5-6-17-20(32)29(7-8-31(17)21(16)33)9-10-34-18-4-2-3-15-11-22(24,25)23(26,27)19(15)18/h2-6,12-13H,7-11H2,1H3
InChIKeyVKKNTPATVMWNHX-UHFFFAOYSA-N
MW476.43 g/mol
LogP3.16
Rot. Bonds5

About 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

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 (PubChem CID 88959665) has the molecular formula C23H20F4N4O3 and a molecular weight of 476.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(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
PubChem CID88959665
Molecular FormulaC23H20F4N4O3
Molecular Weight476.43 g/mol
Exact Mass476.15
IUPAC Name7-(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
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2cccc4c2C(F)(F)C(F)(F)C4)C3=O)cn1
InChIInChI=1S/C23H20F4N4O3/c1-14-12-30(13-28-14)16-5-6-17-20(32)29(7-8-31(17)21(16)33)9-10-34-18-4-2-3-15-11-22(24,25)23(26,27)19(15)18/h2-6,12-13H,7-11H2,1H3
InChIKeyVKKNTPATVMWNHX-UHFFFAOYSA-N
XLogP3.16
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2cccc4c2C(F)(F)C(F)(F)C4)C3=O)cn1.
What is the InChIKey of 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?
The InChIKey is VKKNTPATVMWNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N4O3/c1-14-12-30(13-28-14)16-5-6-17-20(32)29(7-8-31(17)21(16)33)9-10-34-18-4-2-3-15-11-22(24,25)23(26,27)19(15)18/h2-6,12-13H,7-11H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 476.43 g/mol, XLogP of 3.16, 5 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-[2-[(2,2,3,3-tetrafluoro-1H-inden-4-yl)oxy]ethyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 88959665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).