(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]

C26H25F2N5O2 — CID 42610150

IUPAC(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]
SMILESCOc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2cc(F)cc(F)c2)ccc1-n1cnc(C)n1
InChIInChI=1S/C26H25F2N5O2/c1-16-29-15-33(30-16)22-5-4-17(9-23(22)34-3)8-18-13-26(6-7-26)14-32-24(18)31-35-25(32,2)19-10-20(27)12-21(28)11-19/h4-5,8-12,15H,6-7,13-14H2,1-3H3/b18-8+
InChIKeyZMTGHHGXODSJTD-QGMBQPNBSA-N
MW477.52 g/mol
LogP4.95
Rot. Bonds4

About (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]

(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] (PubChem CID 42610150) has the molecular formula C26H25F2N5O2 and a molecular weight of 477.52 g/mol. Its IUPAC name is (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane].

Molecular Properties

Compound Name(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]
PubChem CID42610150
Molecular FormulaC26H25F2N5O2
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC Name(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]
SMILESCOc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2cc(F)cc(F)c2)ccc1-n1cnc(C)n1
InChIInChI=1S/C26H25F2N5O2/c1-16-29-15-33(30-16)22-5-4-17(9-23(22)34-3)8-18-13-26(6-7-26)14-32-24(18)31-35-25(32,2)19-10-20(27)12-21(28)11-19/h4-5,8-12,15H,6-7,13-14H2,1-3H3/b18-8+
InChIKeyZMTGHHGXODSJTD-QGMBQPNBSA-N
XLogP4.95
TPSA64.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] with MolForge

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Related Compounds

(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
1-[(3S,8E)-3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridin-3-yl]-N,N-dimethylmethanamine
CID 56946208
(3E)-1-[(1R,2R)-2-hydroxy-1-(3,4,5-trifluorophenyl)propyl]-3-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 57821186
(8R)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(3,4,5-trifluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 59299707
(3E)-1-[(1R,2R)-1-(4-fluorophenyl)-2-hydroxypropyl]-3-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 23582055
4-(4-fluorophenyl)-2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 24851855
2-[(E)-2-[2-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 24851856
3-(4-fluorobenzyl)-8-{1-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]-(E)-methylidene}-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridine
CID 24851975
(8E)-2-[(4-fluorophenyl)methyl]-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyridine
CID 24851976
2-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-8-(3,4,5-trifluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[5,1-c][1,4]oxazine
CID 24851977
8-(4-fluorophenyl)-2-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-5,6-dihydro[1,2,4]triazolo[1,5-a]pyridine
CID 24851979
(-)-8-fluoro-8-(4-fluorophenyl)-2-{(E)-2-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl]vinyl}-5,6,7,8-tetrahydro[1,2,4]triazolo[1,5-a]pyridine
CID 24852097

Frequently Asked Questions

What is the IUPAC name of (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]?
The IUPAC name of (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] (CID 42610150) is (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane].
What is the SMILES notation for (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]?
The canonical SMILES for (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] is COc1cc(/C=C2\CC3(CC3)CN3C2=NOC3(C)c2cc(F)cc(F)c2)ccc1-n1cnc(C)n1.
What is the InChIKey of (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]?
The InChIKey is ZMTGHHGXODSJTD-QGMBQPNBSA-N. The full InChI is InChI=1S/C26H25F2N5O2/c1-16-29-15-33(30-16)22-5-4-17(9-23(22)34-3)8-18-13-26(6-7-26)14-32-24(18)31-35-25(32,2)19-10-20(27)12-21(28)11-19/h4-5,8-12,15H,6-7,13-14H2,1-3H3/b18-8+.
What are the key properties of (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane]?
(8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] has a molecular weight of 477.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-(3,5-difluorophenyl)-8-[[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]methylidene]-3-methylspiro[5,7-dihydro-[1,2,4]oxadiazolo[4,3-a]pyridine-6,1'-cyclopropane] is sourced from PubChem (CID 42610150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).