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

C27H35FN4 — CID 142492414

IUPAC2-[(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
SMILESC=C1C(C)=CC(c2cc(C)c(/C=C(\C)N3CC4(CCNCC4)C3)c(F)c2)=NN1C=C(C)C
InChIInChI=1S/C27H35FN4/c1-18(2)15-32-22(6)19(3)12-26(30-32)23-11-20(4)24(25(28)14-23)13-21(5)31-16-27(17-31)7-9-29-10-8-27/h11-15,29H,6-10,16-17H2,1-5H3/b21-13+
InChIKeyRTTJFZCFGDTVSR-FYJGNVAPSA-N
MW434.60 g/mol
LogP5.58
Rot. Bonds4

About 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

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 (PubChem CID 142492414) has the molecular formula C27H35FN4 and a molecular weight of 434.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID142492414
Molecular FormulaC27H35FN4
Molecular Weight434.60 g/mol
Exact Mass434.28
IUPAC Name2-[(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
SMILESC=C1C(C)=CC(c2cc(C)c(/C=C(\C)N3CC4(CCNCC4)C3)c(F)c2)=NN1C=C(C)C
InChIInChI=1S/C27H35FN4/c1-18(2)15-32-22(6)19(3)12-26(30-32)23-11-20(4)24(25(28)14-23)13-21(5)31-16-27(17-31)7-9-29-10-8-27/h11-15,29H,6-10,16-17H2,1-5H3/b21-13+
InChIKeyRTTJFZCFGDTVSR-FYJGNVAPSA-N
XLogP5.58
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.60
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

6-(3,3-dimethyl-2,6-dihydro-1H-pyridin-4-yl)-15-fluoro-4-methyl-4,8,9-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),2,6,9,11,13(17),14-heptaene
CID 118274257
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
4-(1,1-difluoroethyl)-N-[(3E)-4-[1-[1-[4-[3-[(6S)-2,6-dimethylpiperidin-1-yl]propyl]-3-fluoro-2-methylphenyl]-2-methylpropan-2-yl]cyclobutyl]-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]-2-[N-ethenyl-C-[(E)-3-fluoro-2,3-dimethylpent-1-enyl]carbonimidoyl]cyclohexa-1,5-dien-1-amine
CID 154986168
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-[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
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
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-[(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
(Z)-N-[[(1S)-4-[2-fluoro-5-methyl-4-[(3E,5E)-6-(2-methyl-5H-triazin-4-yl)hepta-1,3,5-trien-3-yl]phenyl]-4-methylcyclopent-2-en-1-yl]methyl]prop-1-en-1-amine
CID 144037100
6-methylidene-3-[3-methyl-4-(2-piperidin-1-ylethyl)phenyl]-1H-pyridazine
CID 58254686
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;propane
CID 142492318

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C1C(C)=CC(c2cc(C)c(/C=C(\C)N3CC4(CCNCC4)C3)c(F)c2)=NN1C=C(C)C.
What is the InChIKey of 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?
The InChIKey is RTTJFZCFGDTVSR-FYJGNVAPSA-N. The full InChI is InChI=1S/C27H35FN4/c1-18(2)15-32-22(6)19(3)12-26(30-32)23-11-20(4)24(25(28)14-23)13-21(5)31-16-27(17-31)7-9-29-10-8-27/h11-15,29H,6-10,16-17H2,1-5H3/b21-13+.
What are the key properties of 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?
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 has a molecular weight of 434.60 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 142492414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).