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

C25H24FN5O — CID 24851975

IUPAC(8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(/C=C2\CCCn3c(Cc4ccc(F)cc4)nnc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24FN5O/c1-17-15-30(16-27-17)22-10-7-19(13-23(22)32-2)12-20-4-3-11-31-24(28-29-25(20)31)14-18-5-8-21(26)9-6-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/b20-12+
InChIKeyHZWNPXPWXMRQQB-UDWIEESQSA-N
MW429.50 g/mol
LogP4.85
Rot. Bonds5

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

(8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 24851975) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name(8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID24851975
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name(8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(/C=C2\CCCn3c(Cc4ccc(F)cc4)nnc32)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H24FN5O/c1-17-15-30(16-27-17)22-10-7-19(13-23(22)32-2)12-20-4-3-11-31-24(28-29-25(20)31)14-18-5-8-21(26)9-6-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/b20-12+
InChIKeyHZWNPXPWXMRQQB-UDWIEESQSA-N
XLogP4.85
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine (CID 24851975) is (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(/C=C2\CCCn3c(Cc4ccc(F)cc4)nnc32)ccc1-n1cnc(C)c1.
What is the InChIKey of (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HZWNPXPWXMRQQB-UDWIEESQSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-17-15-30(16-27-17)22-10-7-19(13-23(22)32-2)12-20-4-3-11-31-24(28-29-25(20)31)14-18-5-8-21(26)9-6-18/h5-10,12-13,15-16H,3-4,11,14H2,1-2H3/b20-12+.
What are the key properties of (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine?
(8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 429.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 24851975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).