9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one

C24H28N4O3 — CID 75150969

IUPAC9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one
SMILESCOc1cc(C=C2CCCN3C(=O)C4(CCCCC4)ON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H28N4O3/c1-17-15-27(16-25-17)20-9-8-18(14-21(20)30-2)13-19-7-6-12-28-22(19)26-31-24(23(28)29)10-4-3-5-11-24/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyXBXFZPTVSSWDMN-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.24
Rot. Bonds3

About 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one

9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one (PubChem CID 75150969) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one.

Molecular Properties

Compound Name9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one
PubChem CID75150969
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one
SMILESCOc1cc(C=C2CCCN3C(=O)C4(CCCCC4)ON=C23)ccc1-n1cnc(C)c1
InChIInChI=1S/C24H28N4O3/c1-17-15-27(16-25-17)20-9-8-18(14-21(20)30-2)13-19-7-6-12-28-22(19)26-31-24(23(28)29)10-4-3-5-11-24/h8-9,13-16H,3-7,10-12H2,1-2H3
InChIKeyXBXFZPTVSSWDMN-UHFFFAOYSA-N
XLogP4.24
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9E)-9-[[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one
CID 70233973
(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]
CID 123157388
9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-(3,4,5-trifluorophenyl)spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclopentane]
CID 76819405
(4S,9E)-4-(3,5-difluoro-4-methylphenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[4,6,7,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]
CID 58548887
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]ethanone
CID 56946206
3-(4-fluorophenyl)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carbaldehyde
CID 75145925
(8E)-8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-phenyl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine-3-carboperoxoic acid
CID 143988006
8-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-3-methyl-3-pyridin-2-yl-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine
CID 76798099
(3E)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one
CID 58548909
(8'Z)-6-fluoro-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[1,2-dihydroindene-3,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 59502188
(4S)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-phenyl-4,6,7,8-tetrahydro-3H-pyrido[2,1-c][1,2,4]oxadiazine
CID 123814568
(8'E)-8'-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[2,3-dihydrochromene-4,3'-6,7-dihydro-5H-[1,2,4]oxadiazolo[4,3-a]pyridine]
CID 25145701

Frequently Asked Questions

What is the IUPAC name of 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one?
The IUPAC name of 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one (CID 75150969) is 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one.
What is the SMILES notation for 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one?
The canonical SMILES for 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one is COc1cc(C=C2CCCN3C(=O)C4(CCCCC4)ON=C23)ccc1-n1cnc(C)c1.
What is the InChIKey of 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one?
The InChIKey is XBXFZPTVSSWDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-15-27(16-25-17)20-9-8-18(14-21(20)30-2)13-19-7-6-12-28-22(19)26-31-24(23(28)29)10-4-3-5-11-24/h8-9,13-16H,3-7,10-12H2,1-2H3.
What are the key properties of 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one?
9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one has a molecular weight of 420.51 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[7,8-dihydro-6H-pyrido[2,1-c][1,2,4]oxadiazine-3,1'-cyclohexane]-4-one is sourced from PubChem (CID 75150969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).