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

C26H23FN4O3 — CID 24852563

IUPAC(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOc1cc(/C=C2\CCCn3c2nc(C(=O)O)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H23FN4O3/c1-16-14-30(15-28-16)21-10-5-17(13-22(21)34-2)12-19-4-3-11-31-24(18-6-8-20(27)9-7-18)23(26(32)33)29-25(19)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b19-12+
InChIKeyPAWQGDYDYRADJZ-XDHOZWIPSA-N
MW458.49 g/mol
LogP5.22
Rot. Bonds5

About (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-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-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 24852563) has the molecular formula C26H23FN4O3 and a molecular weight of 458.49 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-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-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID24852563
Molecular FormulaC26H23FN4O3
Molecular Weight458.49 g/mol
Exact Mass458.18
IUPAC Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESCOc1cc(/C=C2\CCCn3c2nc(C(=O)O)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H23FN4O3/c1-16-14-30(15-28-16)21-10-5-17(13-22(21)34-2)12-19-4-3-11-31-24(18-6-8-20(27)9-7-18)23(26(32)33)29-25(19)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b19-12+
InChIKeyPAWQGDYDYRADJZ-XDHOZWIPSA-N
XLogP5.22
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-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-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid (CID 24852563) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-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-methoxy-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-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid is COc1cc(/C=C2\CCCn3c2nc(C(=O)O)c3-c2ccc(F)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is PAWQGDYDYRADJZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C26H23FN4O3/c1-16-14-30(15-28-16)21-10-5-17(13-22(21)34-2)12-19-4-3-11-31-24(18-6-8-20(27)9-7-18)23(26(32)33)29-25(19)31/h5-10,12-15H,3-4,11H2,1-2H3,(H,32,33)/b19-12+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-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-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 458.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 24852563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).