3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one

C23H26F3N7O — CID 90961355

IUPAC3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCC/C(=C\C=C(/C)C1c2nc(-c3ccc(-n4cnc(C)c4)c(=O)[nH]3)nn2CCN1C)C(F)(F)F
InChIInChI=1S/C23H26F3N7O/c1-5-16(23(24,25)26)7-6-14(2)19-21-29-20(30-33(21)11-10-31(19)4)17-8-9-18(22(34)28-17)32-12-15(3)27-13-32/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,28,34)/b14-6+,16-7+
InChIKeyFZKZMMVQBBLRRG-BLVHJZEXSA-N
MW473.50 g/mol
LogP3.96
Rot. Bonds5

About 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one

3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one (PubChem CID 90961355) has the molecular formula C23H26F3N7O and a molecular weight of 473.50 g/mol. Its IUPAC name is 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one
PubChem CID90961355
Molecular FormulaC23H26F3N7O
Molecular Weight473.50 g/mol
Exact Mass473.22
IUPAC Name3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one
SMILESCC/C(=C\C=C(/C)C1c2nc(-c3ccc(-n4cnc(C)c4)c(=O)[nH]3)nn2CCN1C)C(F)(F)F
InChIInChI=1S/C23H26F3N7O/c1-5-16(23(24,25)26)7-6-14(2)19-21-29-20(30-33(21)11-10-31(19)4)17-8-9-18(22(34)28-17)32-12-15(3)27-13-32/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,28,34)/b14-6+,16-7+
InChIKeyFZKZMMVQBBLRRG-BLVHJZEXSA-N
XLogP3.96
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one (CID 90961355) is 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one is CC/C(=C\C=C(/C)C1c2nc(-c3ccc(-n4cnc(C)c4)c(=O)[nH]3)nn2CCN1C)C(F)(F)F.
What is the InChIKey of 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one?
The InChIKey is FZKZMMVQBBLRRG-BLVHJZEXSA-N. The full InChI is InChI=1S/C23H26F3N7O/c1-5-16(23(24,25)26)7-6-14(2)19-21-29-20(30-33(21)11-10-31(19)4)17-8-9-18(22(34)28-17)32-12-15(3)27-13-32/h6-9,12-13,19H,5,10-11H2,1-4H3,(H,28,34)/b14-6+,16-7+.
What are the key properties of 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one?
3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one has a molecular weight of 473.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylimidazol-1-yl)-6-[7-methyl-8-[(2E,4E)-5-(trifluoromethyl)hepta-2,4-dien-2-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 90961355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).