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

C50H46F2N8O2 — CID 157187050

IUPAC(8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
SMILESCOc1cc(/C=C2\CCCn3c(-c4ccc(F)cc4)cnc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3cc(-c4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1
InChIInChI=1S/2C25H23FN4O/c1-17-15-29(16-28-17)22-10-5-18(13-24(22)31-2)12-20-4-3-11-30-23(14-27-25(20)30)19-6-8-21(26)9-7-19;1-17-14-30(16-27-17)23-10-5-18(13-24(23)31-2)12-20-4-3-11-29-15-22(28-25(20)29)19-6-8-21(26)9-7-19/h2*5-10,12-16H,3-4,11H2,1-2H3/b2*20-12+
InChIKeyAPFZMBIBCDIOHQ-OBDZYHNJSA-N
MW828.97 g/mol
LogP11.05
Rot. Bonds8

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

(8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine (PubChem CID 157187050) has the molecular formula C50H46F2N8O2 and a molecular weight of 828.97 g/mol. Its IUPAC name is (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name(8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
PubChem CID157187050
Molecular FormulaC50H46F2N8O2
Molecular Weight828.97 g/mol
Exact Mass828.37
IUPAC Name(8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
SMILESCOc1cc(/C=C2\CCCn3c(-c4ccc(F)cc4)cnc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3cc(-c4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1
InChIInChI=1S/2C25H23FN4O/c1-17-15-29(16-28-17)22-10-5-18(13-24(22)31-2)12-20-4-3-11-30-23(14-27-25(20)30)19-6-8-21(26)9-7-19;1-17-14-30(16-27-17)23-10-5-18(13-24(23)31-2)12-20-4-3-11-29-15-22(28-25(20)29)19-6-8-21(26)9-7-19/h2*5-10,12-16H,3-4,11H2,1-2H3/b2*20-12+
InChIKeyAPFZMBIBCDIOHQ-OBDZYHNJSA-N
XLogP11.05
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.97
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

2-[4-(2-Methoxyphenyl)piperazin-1-ylmethyl]-6-methyl-8-phenylimidazo[1,2-a]pyridine
CID 11697270
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-1-methyl-4-phenylimidazole
CID 24852226
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine
CID 24852452
(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 25145553
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(3,4,5-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633502
8-[1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 42633863
(4S,9E)-3,4,6,7,8,9-Hexahydro-9-[[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]methylene]-4-(3,4,5-trifluorophenyl)pyrido[2,1-c][1,2,4]oxadiazine
CID 46201983
(9E)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-(3,4,5-trifluorophenyl)-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 46203293
(8S)-8-(4-fluoro-2-methylphenyl)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 49872381
3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[1-(2,4,6-trifluorophenyl)ethyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53316726
8-[1-(4-fluorophenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53320673
8-[1-(4-fluorophenyl)butyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53323317

Frequently Asked Questions

What is the IUPAC name of (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine?
The IUPAC name of (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine (CID 157187050) is (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine.
What is the SMILES notation for (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine?
The canonical SMILES for (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine is COc1cc(/C=C2\CCCn3c(-c4ccc(F)cc4)cnc32)ccc1-n1cnc(C)c1.COc1cc(/C=C2\CCCn3cc(-c4ccc(F)cc4)nc32)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine?
The InChIKey is APFZMBIBCDIOHQ-OBDZYHNJSA-N. The full InChI is InChI=1S/2C25H23FN4O/c1-17-15-29(16-28-17)22-10-5-18(13-24(22)31-2)12-20-4-3-11-30-23(14-27-25(20)30)19-6-8-21(26)9-7-19;1-17-14-30(16-27-17)23-10-5-18(13-24(23)31-2)12-20-4-3-11-29-15-22(28-25(20)29)19-6-8-21(26)9-7-19/h2*5-10,12-16H,3-4,11H2,1-2H3/b2*20-12+.
What are the key properties of (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine?
(8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine has a molecular weight of 828.97 g/mol, XLogP of 11.05, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-2-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine;(8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-imidazo[1,2-a]pyridine is sourced from PubChem (CID 157187050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).