2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

C24H23F3N4O3 — CID 66551580

IUPAC2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C2CC(F)(F)C2)C3=O)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-13-30(14-28-15)19-3-4-20-22(32)29(6-7-31(20)23(19)33)8-9-34-21-5-2-17(25)10-18(21)16-11-24(26,27)12-16/h2-5,10,13-14,16H,6-9,11-12H2,1H3
InChIKeyHTPYICLKDABRCS-UHFFFAOYSA-N
MW472.47 g/mol
LogP3.53
Rot. Bonds6

About 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione

2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (PubChem CID 66551580) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.

Molecular Properties

Compound Name2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
PubChem CID66551580
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
SMILESCc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C2CC(F)(F)C2)C3=O)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-13-30(14-28-15)19-3-4-20-22(32)29(6-7-31(20)23(19)33)8-9-34-21-5-2-17(25)10-18(21)16-11-24(26,27)12-16/h2-5,10,13-14,16H,6-9,11-12H2,1H3
InChIKeyHTPYICLKDABRCS-UHFFFAOYSA-N
XLogP3.53
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 68380304
CID 68380304
CID 66551772
CID 66551772
2-[2-(2-Cyclobutylphenoxy)ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68380073
2-{2-[4-fluoro-2-(trifluoromethyl)phenoxy]ethyl}-7-(4-methyl-1H-imidazol-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 68380152
2-[2-[4-Chloro-2-(trifluoromethyl)phenoxy]ethyl]-7-(4-methyl-1H-imidazole-1-yl)-3,4-dihydro-2H-pyrido[1,2-a]pyrazine-1,6-dione
CID 68380260
2-[2-(2-Tert-butylphenoxy)ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68380314
2-[2-(7-Fluoronaphthalen-1-yl)oxyethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 68380472
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
7-(4-methylimidazol-1-yl)-2-[[(2S,5R)-5-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 90074221
2-[[(1aR,7bR)-6-(trifluoromethyl)-1a,2-dihydro-1H-cyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389830
2-[[2,2-Dimethyl-6-(trifluoromethyl)chromen-4-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389852
2-[(1S)-1-[2,2-dimethyl-6-(trifluoromethyl)chromen-4-yl]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389864

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The IUPAC name of 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione (CID 66551580) is 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione.
What is the SMILES notation for 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The canonical SMILES for 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is Cc1cn(-c2ccc3n(c2=O)CCN(CCOc2ccc(F)cc2C2CC(F)(F)C2)C3=O)cn1.
What is the InChIKey of 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
The InChIKey is HTPYICLKDABRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-13-30(14-28-15)19-3-4-20-22(32)29(6-7-31(20)23(19)33)8-9-34-21-5-2-17(25)10-18(21)16-11-24(26,27)12-16/h2-5,10,13-14,16H,6-9,11-12H2,1H3.
What are the key properties of 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione?
2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione has a molecular weight of 472.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,3-difluorocyclobutyl)-4-fluorophenoxy]ethyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione is sourced from PubChem (CID 66551580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).