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

C27H26FN5O2 — CID 24852565

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1nc2n(c1-c1ccc(F)cc1)CCC/C2=C\c1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C27H26FN5O2/c1-17-15-32(16-30-17)22-11-6-18(14-23(22)35-3)13-20-5-4-12-33-25(19-7-9-21(28)10-8-19)24(27(34)29-2)31-26(20)33/h6-11,13-16H,4-5,12H2,1-3H3,(H,29,34)/b20-13+
InChIKeyUBSYDGGILOAPTE-DEDYPNTBSA-N
MW471.54 g/mol
LogP4.89
Rot. Bonds5

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

(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 24852565) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID24852565
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide
SMILESCNC(=O)c1nc2n(c1-c1ccc(F)cc1)CCC/C2=C\c1ccc(-n2cnc(C)c2)c(OC)c1
InChIInChI=1S/C27H26FN5O2/c1-17-15-32(16-30-17)22-11-6-18(14-23(22)35-3)13-20-5-4-12-33-25(19-7-9-21(28)10-8-19)24(27(34)29-2)31-26(20)33/h6-11,13-16H,4-5,12H2,1-3H3,(H,29,34)/b20-13+
InChIKeyUBSYDGGILOAPTE-DEDYPNTBSA-N
XLogP4.89
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide 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]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide (CID 24852565) is (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide is CNC(=O)c1nc2n(c1-c1ccc(F)cc1)CCC/C2=C\c1ccc(-n2cnc(C)c2)c(OC)c1.
What is the InChIKey of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is UBSYDGGILOAPTE-DEDYPNTBSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-17-15-32(16-30-17)22-11-6-18(14-23(22)35-3)13-20-5-4-12-33-25(19-7-9-21(28)10-8-19)24(27(34)29-2)31-26(20)33/h6-11,13-16H,4-5,12H2,1-3H3,(H,29,34)/b20-13+.
What are the key properties of (8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide?
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 471.54 g/mol, XLogP of 4.89, 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]-N-methyl-6,7-dihydro-5H-imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 24852565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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