N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane

C31H43FN4 — CID 142492343

About N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane

N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane (PubChem CID 142492343) has the molecular formula C31H43FN4 and a molecular weight of 490.71 g/mol. Its IUPAC name is N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane.

Molecular Properties

• Compound Name: N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane
• PubChem CID: 142492343
• Molecular Formula: C31H43FN4
• Molecular Weight: 490.71 g/mol
• Exact Mass: 490.35
• IUPAC Name: N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane
• SMILES: C.C=C/C(C)=C\N1N=C(c2cc(C)c(/C=C(\N=C\C)C3CCN(CCC)CC3)c(F)c2)C=C(C)C1=C
• InChI: InChI=1S/C30H39FN4.CH4/c1-8-13-34-14-11-25(12-15-34)29(32-10-3)19-27-23(6)16-26(18-28(27)31)30-17-22(5)24(7)35(33-30)20-21(4)9-2;/h9-10,16-20,25H,2,7-8,11-15H2,1,3-6H3;1H4/b21-20-,29-19-,32-10+
• InChIKey: GANYABDHSVIKRV-FRKGBBSJSA-N
• XLogP: 7.89
• TPSA: 31.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.71
LogP ≤ 5	7.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane?

The IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane (CID 142492343) is N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane.

What is the SMILES notation for N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane?

The canonical SMILES for N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane is C.C=C/C(C)=C\N1N=C(c2cc(C)c(/C=C(\N=C\C)C3CCN(CCC)CC3)c(F)c2)C=C(C)C1=C.

What is the InChIKey of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane?

The InChIKey is GANYABDHSVIKRV-FRKGBBSJSA-N. The full InChI is InChI=1S/C30H39FN4.CH4/c1-8-13-34-14-11-25(12-15-34)29(32-10-3)19-27-23(6)16-26(18-28(27)31)30-17-22(5)24(7)35(33-30)20-21(4)9-2;/h9-10,16-20,25H,2,7-8,11-15H2,1,3-6H3;1H4/b21-20-,29-19-,32-10+;.

What are the key properties of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane?

N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane has a molecular weight of 490.71 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]phenyl]-1-(1-propylpiperidin-4-yl)ethenyl]ethanimine;methane is sourced from PubChem (CID 142492343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).