1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine

C35H51FN4 — CID 142492319

About 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine

1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 142492319) has the molecular formula C35H51FN4 and a molecular weight of 546.82 g/mol. Its IUPAC name is 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

• Compound Name: 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine
• PubChem CID: 142492319
• Molecular Formula: C35H51FN4
• Molecular Weight: 546.82 g/mol
• Exact Mass: 546.41
• IUPAC Name: 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine
• SMILES: C=C1C(C)=CC(c2cc(F)c(/C=C(\C)N3CCC(N(C)C)CC3)c(CC=CCCC)c2)=NN1/C=C(/C)C(C)CC
• InChI: InChI=1S/C35H51FN4/c1-10-12-13-14-15-30-22-31(35-20-26(4)29(7)40(37-35)24-27(5)25(3)11-2)23-34(36)33(30)21-28(6)39-18-16-32(17-19-39)38(8)9/h13-14,20-25,32H,7,10-12,15-19H2,1-6,8-9H3/b14-13?,27-24-,28-21+
• InChIKey: CSPRZLSUNKXEAS-IWINOWKJSA-N
• XLogP: 8.54
• TPSA: 22.08 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.82
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine?

The IUPAC name of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine (CID 142492319) is 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine.

What is the SMILES notation for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine?

The canonical SMILES for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine is C=C1C(C)=CC(c2cc(F)c(/C=C(\C)N3CCC(N(C)C)CC3)c(CC=CCCC)c2)=NN1/C=C(/C)C(C)CC.

What is the InChIKey of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine?

The InChIKey is CSPRZLSUNKXEAS-IWINOWKJSA-N. The full InChI is InChI=1S/C35H51FN4/c1-10-12-13-14-15-30-22-31(35-20-26(4)29(7)40(37-35)24-27(5)25(3)11-2)23-34(36)33(30)21-28(6)39-18-16-32(17-19-39)38(8)9/h13-14,20-25,32H,7,10-12,15-19H2,1-6,8-9H3/b14-13?,27-24-,28-21+.

What are the key properties of 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine?

1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 546.82 g/mol, XLogP of 8.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(E)-1-[4-[1-[(Z)-2,3-dimethylpent-1-enyl]-5-methyl-6-methylidenepyridazin-3-yl]-2-fluoro-6-hex-2-enylphenyl]prop-1-en-2-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 142492319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).