(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid

C26H23FN4O2 — CID 58259723

IUPAC(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cn(-c2ccc(/C=C3\CCCn4c3nc(C(=O)O)c4-c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C26H23FN4O2/c1-16-12-18(5-10-22(16)30-14-17(2)28-15-30)13-20-4-3-11-31-24(19-6-8-21(27)9-7-19)23(26(32)33)29-25(20)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b20-13+
InChIKeyISJVEHQBOGBIGZ-DEDYPNTBSA-N
MW442.49 g/mol
LogP5.52
Rot. Bonds4

About (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid

(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 58259723) has the molecular formula C26H23FN4O2 and a molecular weight of 442.49 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID58259723
Molecular FormulaC26H23FN4O2
Molecular Weight442.49 g/mol
Exact Mass442.18
IUPAC Name(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCc1cn(-c2ccc(/C=C3\CCCn4c3nc(C(=O)O)c4-c3ccc(F)cc3)cc2C)cn1
InChIInChI=1S/C26H23FN4O2/c1-16-12-18(5-10-22(16)30-14-17(2)28-15-30)13-20-4-3-11-31-24(19-6-8-21(27)9-7-19)23(26(32)33)29-25(20)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b20-13+
InChIKeyISJVEHQBOGBIGZ-DEDYPNTBSA-N
XLogP5.52
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid 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 (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid (CID 58259723) is (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid is Cc1cn(-c2ccc(/C=C3\CCCn4c3nc(C(=O)O)c4-c3ccc(F)cc3)cc2C)cn1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is ISJVEHQBOGBIGZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C26H23FN4O2/c1-16-12-18(5-10-22(16)30-14-17(2)28-15-30)13-20-4-3-11-31-24(19-6-8-21(27)9-7-19)23(26(32)33)29-25(20)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b20-13+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid?
(8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 442.49 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(4-fluorophenyl)-8-[[3-methyl-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 58259723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).