4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one

C19H22F4N6O2 — CID 163257609

IUPAC4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one
SMILESCn1nc(NCc2cccc(C(F)(F)F)c2F)c(/C=C(\N)N2CCOCC2)c(N)c1=O
InChIInChI=1S/C19H22F4N6O2/c1-28-18(30)16(25)12(9-14(24)29-5-7-31-8-6-29)17(27-28)26-10-11-3-2-4-13(15(11)20)19(21,22)23/h2-4,9H,5-8,10,24-25H2,1H3,(H,26,27)/b14-9+
InChIKeyHBQACMPGJCUEMS-NTEUORMPSA-N
MW442.42 g/mol
LogP1.72
Rot. Bonds5

About 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one

4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one (PubChem CID 163257609) has the molecular formula C19H22F4N6O2 and a molecular weight of 442.42 g/mol. Its IUPAC name is 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one
PubChem CID163257609
Molecular FormulaC19H22F4N6O2
Molecular Weight442.42 g/mol
Exact Mass442.17
IUPAC Name4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one
SMILESCn1nc(NCc2cccc(C(F)(F)F)c2F)c(/C=C(\N)N2CCOCC2)c(N)c1=O
InChIInChI=1S/C19H22F4N6O2/c1-28-18(30)16(25)12(9-14(24)29-5-7-31-8-6-29)17(27-28)26-10-11-3-2-4-13(15(11)20)19(21,22)23/h2-4,9H,5-8,10,24-25H2,1H3,(H,26,27)/b14-9+
InChIKeyHBQACMPGJCUEMS-NTEUORMPSA-N
XLogP1.72
TPSA111.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one 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

2-[8-(morpholin-4-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
CID 49663375
US20240051956, Example 24
CID 164555119
US20240051956, Example 28
CID 164555125
US20240051956, Example 20
CID 164555136
US20240051956, Example 31
CID 164555148
US20240051956, Example 33
CID 164555150
US20240051956, Example 26
CID 164555159
US20240051956, Example 19
CID 164555184
US20240051956, Example 25
CID 164555201
Synthetic Processes to Prepare Intermediates
CID 167432580
US20240051956, Example 29
CID 170692856
6-[3-(Aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one
CID 150418519

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one (CID 163257609) is 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one is Cn1nc(NCc2cccc(C(F)(F)F)c2F)c(/C=C(\N)N2CCOCC2)c(N)c1=O.
What is the InChIKey of 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one?
The InChIKey is HBQACMPGJCUEMS-NTEUORMPSA-N. The full InChI is InChI=1S/C19H22F4N6O2/c1-28-18(30)16(25)12(9-14(24)29-5-7-31-8-6-29)17(27-28)26-10-11-3-2-4-13(15(11)20)19(21,22)23/h2-4,9H,5-8,10,24-25H2,1H3,(H,26,27)/b14-9+.
What are the key properties of 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one?
4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one has a molecular weight of 442.42 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(E)-2-amino-2-morpholin-4-ylethenyl]-6-[[2-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 163257609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).