(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]

C28H29FN4O2 — CID 42610533

About (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]

(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane] (PubChem CID 42610533) has the molecular formula C28H29FN4O2 and a molecular weight of 472.56 g/mol. Its IUPAC name is (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane].

Molecular Properties

• Compound Name: (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]
• PubChem CID: 42610533
• Molecular Formula: C28H29FN4O2
• Molecular Weight: 472.56 g/mol
• Exact Mass: 472.23
• IUPAC Name: (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]
• SMILES: COc1cc(/C=C2\CC3(CC3)CN3C2=NOCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C28H29FN4O2/c1-19-15-32(18-30-19)24-9-4-20(13-25(24)34-3)12-21-14-28(10-11-28)16-33-26(21)31-35-17-27(33,2)22-5-7-23(29)8-6-22/h4-9,12-13,15,18H,10-11,14,16-17H2,1-3H3/b21-12+
• InChIKey: LVLWMCIDFVLQSH-CIAFOILYSA-N
• XLogP: 5.46
• TPSA: 51.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.56
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]?

The IUPAC name of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane] (CID 42610533) is (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane].

What is the SMILES notation for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]?

The canonical SMILES for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane] is COc1cc(/C=C2\CC3(CC3)CN3C2=NOCC3(C)c2ccc(F)cc2)ccc1-n1cnc(C)c1.

What is the InChIKey of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]?

The InChIKey is LVLWMCIDFVLQSH-CIAFOILYSA-N. The full InChI is InChI=1S/C28H29FN4O2/c1-19-15-32(18-30-19)24-9-4-20(13-25(24)34-3)12-21-14-28(10-11-28)16-33-26(21)31-35-17-27(33,2)22-5-7-23(29)8-6-22/h4-9,12-13,15,18H,10-11,14,16-17H2,1-3H3/b21-12+.

What are the key properties of (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane]?

(9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane] has a molecular weight of 472.56 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (9E)-4-(4-fluorophenyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-4-methylspiro[6,8-dihydro-3H-pyrido[2,1-c][1,2,4]oxadiazine-7,1'-cyclopropane] is sourced from PubChem (CID 42610533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).