6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile

C27H32F2N4 — CID 142492272

IUPAC6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile
SMILESC=C1C(C#N)=CC(c2cc(C)c(/C=C(\C)C3CCN(CCF)CC3)c(F)c2)=NN1C=C(C)C
InChIInChI=1S/C27H32F2N4/c1-18(2)17-33-21(5)24(16-30)15-27(31-33)23-12-20(4)25(26(29)14-23)13-19(3)22-6-9-32(10-7-22)11-8-28/h12-15,17,22H,5-11H2,1-4H3/b19-13+
InChIKeyNHARXCBONKMSOH-CPNJWEJPSA-N
MW450.58 g/mol
LogP6.13
Rot. Bonds6

About 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile

6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile (PubChem CID 142492272) has the molecular formula C27H32F2N4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile
PubChem CID142492272
Molecular FormulaC27H32F2N4
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile
SMILESC=C1C(C#N)=CC(c2cc(C)c(/C=C(\C)C3CCN(CCF)CC3)c(F)c2)=NN1C=C(C)C
InChIInChI=1S/C27H32F2N4/c1-18(2)17-33-21(5)24(16-30)15-27(31-33)23-12-20(4)25(26(29)14-23)13-19(3)22-6-9-32(10-7-22)11-8-28/h12-15,17,22H,5-11H2,1-4H3/b19-13+
InChIKeyNHARXCBONKMSOH-CPNJWEJPSA-N
XLogP6.13
TPSA42.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[1-[4-cyclobutyl-3-[(E)-N-[(E)-hexan-2-ylideneamino]-C-methylcarbonimidoyl]phenyl]ethenyl]-4-fluoropiperidin-4-yl]benzonitrile
CID 126514558
4-[1-[1-[4-ethyl-2-methyl-5-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]ethenyl]-4-fluoropiperidin-4-yl]benzonitrile
CID 134513179
2-[6-[4-[(E)-2-(1-ethylpiperidin-4-yl)prop-1-enyl]-3-fluoro-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazin-4-yl]acetonitrile
CID 142492117
6-[4-[(Z)-3-ethyl-2-(1-methylpiperidin-4-yl)hept-1-en-4-ynyl]-3-fluoro-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile
CID 142492197
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
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
CID 142492344
2-[(E)-1-[2-fluoro-6-methyl-4-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]phenyl]prop-1-en-2-yl]-2,7-diazaspiro[3.5]nonane
CID 142492414
N-[(Z)-2-[4-[5-ethyl-1-[(1Z)-2-methylbuta-1,3-dienyl]-6-methylidenepyridazin-3-yl]-2-fluoro-6-methylphenyl]-1-(1-ethylpiperidin-4-yl)ethenyl]ethanimine
CID 142492470
N-[(E)-[(2E)-1-(2,5-dimethylphenyl)-3-piperidin-1-ylpenta-2,4-dienylidene]amino]-N-methylmethanamine
CID 134379605
4-[1-[1-[2,4-dimethyl-5-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]ethenyl]piperidin-4-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 134513264
4-[1-[1-[4-butan-2-yl-2-methyl-5-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]ethenyl]piperidin-4-yl]-4-methylcyclohexa-1,5-diene-1-carbonitrile
CID 134513384
2-[6-[4-[(E)-2-(1-ethylpiperidin-4-yl)prop-1-enyl]-3-fluoro-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazin-4-yl]acetonitrile;hept-3-yne
CID 142492116

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile?
The IUPAC name of 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile (CID 142492272) is 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile.
What is the SMILES notation for 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile?
The canonical SMILES for 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile is C=C1C(C#N)=CC(c2cc(C)c(/C=C(\C)C3CCN(CCF)CC3)c(F)c2)=NN1C=C(C)C.
What is the InChIKey of 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile?
The InChIKey is NHARXCBONKMSOH-CPNJWEJPSA-N. The full InChI is InChI=1S/C27H32F2N4/c1-18(2)17-33-21(5)24(16-30)15-27(31-33)23-12-20(4)25(26(29)14-23)13-19(3)22-6-9-32(10-7-22)11-8-28/h12-15,17,22H,5-11H2,1-4H3/b19-13+.
What are the key properties of 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile?
6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile has a molecular weight of 450.58 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[(E)-2-[1-(2-fluoroethyl)piperidin-4-yl]prop-1-enyl]-5-methylphenyl]-3-methylidene-2-(2-methylprop-1-enyl)pyridazine-4-carbonitrile is sourced from PubChem (CID 142492272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).