N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine

C28H35FN4 — CID 142492535

IUPACN-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine
SMILESC=C1C(C)=CC(c2cc(C)c(/C=C(\N=C\C)C3C=CNCC3)c(F)c2)=NN1/C=C(/C)CCC
InChIInChI=1S/C28H35FN4/c1-7-9-19(3)18-33-22(6)20(4)15-28(32-33)24-14-21(5)25(26(29)16-24)17-27(31-8-2)23-10-12-30-13-11-23/h8,10,12,14-18,23,30H,6-7,9,11,13H2,1-5H3/b19-18-,27-17-,31-8+
InChIKeyMEBVSNHYMUZVQB-KPKNKTHNSA-N
MW446.61 g/mol
LogP6.87
Rot. Bonds7

About N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine

N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine (PubChem CID 142492535) has the molecular formula C28H35FN4 and a molecular weight of 446.61 g/mol. Its IUPAC name is N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine.

Molecular Properties

Compound NameN-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine
PubChem CID142492535
Molecular FormulaC28H35FN4
Molecular Weight446.61 g/mol
Exact Mass446.28
IUPAC NameN-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine
SMILESC=C1C(C)=CC(c2cc(C)c(/C=C(\N=C\C)C3C=CNCC3)c(F)c2)=NN1/C=C(/C)CCC
InChIInChI=1S/C28H35FN4/c1-7-9-19(3)18-33-22(6)20(4)15-28(32-33)24-14-21(5)25(26(29)16-24)17-27(31-8-2)23-10-12-30-13-11-23/h8,10,12,14-18,23,30H,6-7,9,11,13H2,1-5H3/b19-18-,27-17-,31-8+
InChIKeyMEBVSNHYMUZVQB-KPKNKTHNSA-N
XLogP6.87
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.61
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-[5,5-difluoro-2-[[5-fluoro-2-methyl-4-[(E)-3-methyliminoprop-1-enyl]phenyl]methyl]cyclohexyl]-N-methylprop-1-en-1-amine
CID 132239522
5-[(Z)-2-cyclobutyl-1-[2-[[[(E)-7-(ethenylamino)hept-2-enyl]amino]methyl]-3,4-dihydropyridin-5-yl]-2-phenylethenyl]-2-methylbenzenecarboximidoyl fluoride
CID 134555764
3-[[4-(3-fluorobutyl)-3,5-dimethylphenyl]methyliminomethyl]-N-methyl-2-(methyliminomethyl)-1,4-dihydropyridin-4-amine
CID 137247966
2-[4-cyclobutyl-2-fluoro-3-[4-[[(3Z)-5-iminopenta-1,3-dien-2-yl]amino]-3-methylbutyl]phenyl]-1,2-dihydropyrazin-5-amine
CID 139439391
4-[3-[N-[(E)-2-aminoprop-1-enyl]-C-ethenylcarbonimidoyl]-6-cyclobutyl-2-fluorophenyl]-N,2-dimethylbutan-1-amine
CID 139439401
(2Z,4Z)-1-[3-(6-amino-1,2-dihydropyrazin-3-yl)-6-cyclobutyl-2-fluorophenyl]hexa-2,4-diene-2,5-diamine
CID 139439550
5-cyclopropyl-3-[3-fluoro-5-hex-2-ynyl-4-[(E)-2-piperidin-4-ylprop-1-enyl]phenyl]-6-methylidene-1-(2-methylprop-1-enyl)pyridazine
CID 142492201
(E)-4-(3-ethyl-4-fluorophenyl)-2-[2-[(Z,3Z)-3-hydrazinylideneprop-1-enyl]iminoethyl]-N-[5-(methylideneamino)pentyl]pent-1-en-1-amine
CID 156059715
[2-[2-(2-Fluoro-4-methylphenyl)ethyl]-6-methyl-3-methylidene-5-methyliminopyridazin-4-ylidene]methanamine
CID 173929744
4-[3-Amino-2-(2-fluoroethyliminomethyl)prop-2-enyl]imino-4-(4-fluoro-2-propan-2-ylphenyl)but-2-en-2-amine
CID 173981571
(4Z)-N'-(2-fluoropropyl)-2-(methyliminomethyl)-1-(4-methyl-2-propan-2-ylphenyl)-4-prop-1-en-2-ylpenta-1,4-diene-1,5-diamine
CID 173982345
(4Z)-N'-(difluoromethyl)-2-(ethyliminomethyl)-4-(4-methyl-2-propan-2-ylbenzenecarboximidoyl)hexa-1,4-diene-1,6-diamine
CID 173982349

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine?
The IUPAC name of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine (CID 142492535) is N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine.
What is the SMILES notation for N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine?
The canonical SMILES for N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine is C=C1C(C)=CC(c2cc(C)c(/C=C(\N=C\C)C3C=CNCC3)c(F)c2)=NN1/C=C(/C)CCC.
What is the InChIKey of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine?
The InChIKey is MEBVSNHYMUZVQB-KPKNKTHNSA-N. The full InChI is InChI=1S/C28H35FN4/c1-7-9-19(3)18-33-22(6)20(4)15-28(32-33)24-14-21(5)25(26(29)16-24)17-27(31-8-2)23-10-12-30-13-11-23/h8,10,12,14-18,23,30H,6-7,9,11,13H2,1-5H3/b19-18-,27-17-,31-8+.
What are the key properties of N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine?
N-[(Z)-2-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine has a molecular weight of 446.61 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 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-6-methylidene-1-[(Z)-2-methylpent-1-enyl]pyridazin-3-yl]phenyl]-1-(1,2,3,4-tetrahydropyridin-4-yl)ethenyl]ethanimine is sourced from PubChem (CID 142492535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).