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

C26H25F3N4O3 — CID 118389864

IUPAC2-[(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
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)C2=CC(C)(C)Oc4ccc(C(F)(F)F)cc42)C3=O)cn1
InChIInChI=1S/C26H25F3N4O3/c1-15-13-31(14-30-15)20-6-7-21-24(35)32(9-10-33(21)23(20)34)16(2)19-12-25(3,4)36-22-8-5-17(11-18(19)22)26(27,28)29/h5-8,11-14,16H,9-10H2,1-4H3/t16-/m0/s1
InChIKeyOXAMLWSJBGIHNL-INIZCTEOSA-N
MW498.51 g/mol
LogP4.46
Rot. Bonds3

About 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

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 (PubChem CID 118389864) has the molecular formula C26H25F3N4O3 and a molecular weight of 498.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID118389864
Molecular FormulaC26H25F3N4O3
Molecular Weight498.51 g/mol
Exact Mass498.19
IUPAC Name2-[(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
SMILESCc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)C2=CC(C)(C)Oc4ccc(C(F)(F)F)cc42)C3=O)cn1
InChIInChI=1S/C26H25F3N4O3/c1-15-13-31(14-30-15)20-6-7-21-24(35)32(9-10-33(21)23(20)34)16(2)19-12-25(3,4)36-22-8-5-17(11-18(19)22)26(27,28)29/h5-8,11-14,16H,9-10H2,1-4H3/t16-/m0/s1
InChIKeyOXAMLWSJBGIHNL-INIZCTEOSA-N
XLogP4.46
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

CID 68380304
CID 68380304
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
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
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-[[(1aS,7bS)-6-methoxy-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 118389887
2-[[(1aS,7bS)-2,2-dimethyl-6-(trifluoromethoxy)-1,1a-dihydrocyclopropa[c]chromen-7b-yl]methyl]-7-(4-methylimidazol-1-yl)-3,4-dihydropyrido[1,2-a]pyrazine-1,6-dione
CID 118389896

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)C2=CC(C)(C)Oc4ccc(C(F)(F)F)cc42)C3=O)cn1.
What is the InChIKey of 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?
The InChIKey is OXAMLWSJBGIHNL-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25F3N4O3/c1-15-13-31(14-30-15)20-6-7-21-24(35)32(9-10-33(21)23(20)34)16(2)19-12-25(3,4)36-22-8-5-17(11-18(19)22)26(27,28)29/h5-8,11-14,16H,9-10H2,1-4H3/t16-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 498.51 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118389864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).