4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]

C27H29FN6O3 — CID 74819973

About 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]

4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] (PubChem CID 74819973) has the molecular formula C27H29FN6O3 and a molecular weight of 504.57 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine].

Molecular Properties

• Compound Name: 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]
• PubChem CID: 74819973
• Molecular Formula: C27H29FN6O3
• Molecular Weight: 504.57 g/mol
• Exact Mass: 504.23
• IUPAC Name: 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]
• SMILES: COc1cc(C=C2CC3(CNCCO3)CN3C2=NOCC3c2ccc(F)cn2)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C27H29FN6O3/c1-18-13-33(17-31-18)23-6-3-19(10-25(23)35-2)9-20-11-27(15-29-7-8-36-27)16-34-24(14-37-32-26(20)34)22-5-4-21(28)12-30-22/h3-6,9-10,12-13,17,24,29H,7-8,11,14-16H2,1-2H3
• InChIKey: SJTRQPFRNRIRLU-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 86.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.57
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The IUPAC name of 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] (CID 74819973) is 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine].

What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] is COc1cc(C=C2CC3(CNCCO3)CN3C2=NOCC3c2ccc(F)cn2)ccc1-n1cnc(C)c1.

What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

The InChIKey is SJTRQPFRNRIRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN6O3/c1-18-13-33(17-31-18)23-6-3-19(10-25(23)35-2)9-20-11-27(15-29-7-8-36-27)16-34-24(14-37-32-26(20)34)22-5-4-21(28)12-30-22/h3-6,9-10,12-13,17,24,29H,7-8,11,14-16H2,1-2H3.

What are the key properties of 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine]?

4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] has a molecular weight of 504.57 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-fluoro-2-pyridinyl)-9-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]spiro[3,4,6,8-tetrahydropyrido[2,1-c][1,2,4]oxadiazine-7,2'-morpholine] is sourced from PubChem (CID 74819973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).