2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one

C22H20FN5O2 — CID 25225349

IUPAC2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
SMILESCOc1cc(Nc2ccnn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20FN5O2/c1-15-12-27(14-24-15)20-8-7-18(11-21(20)30-2)26-19-9-10-25-28(22(19)29)13-16-3-5-17(23)6-4-16/h3-12,14,26H,13H2,1-2H3
InChIKeyDOGQJERJKZUYSX-UHFFFAOYSA-N
MW405.43 g/mol
LogP3.68
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one

2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one (PubChem CID 25225349) has the molecular formula C22H20FN5O2 and a molecular weight of 405.43 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
PubChem CID25225349
Molecular FormulaC22H20FN5O2
Molecular Weight405.43 g/mol
Exact Mass405.16
IUPAC Name2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one
SMILESCOc1cc(Nc2ccnn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1
InChIInChI=1S/C22H20FN5O2/c1-15-12-27(14-24-15)20-8-7-18(11-21(20)30-2)26-19-9-10-25-28(22(19)29)13-16-3-5-17(23)6-4-16/h3-12,14,26H,13H2,1-2H3
InChIKeyDOGQJERJKZUYSX-UHFFFAOYSA-N
XLogP3.68
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one with MolForge

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Related Compounds

(5S)-5-butyl-4-({1-[(4-fluorophenyl)methyl]-1H-imidazol-5-yl}methyl)-1-[3-(trifluoromethoxy)phenyl]piperazin-2-one
CID 165416317
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 9824974
1-tert-Butyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10003115
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-propyl-urea
CID 10025201
1-Cyclohexyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10027328
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-ethyl-urea
CID 10069976
3-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-1-methyl-1-pentyl-urea
CID 10095943
1-(2-{3-[4-(4-Butyl-phenyl)-imidazol-1-yl]-propoxy}-6-dimethylamino-phenyl)-3-pentyl-urea
CID 10346068
1-Butyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10388270
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-hexyl-urea
CID 10389684
1-(2-Dimethylamino-6-{3-[4-(4-methoxy-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10412851
1-Cyclopentyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10456284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one (CID 25225349) is 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one is COc1cc(Nc2ccnn(Cc3ccc(F)cc3)c2=O)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one?
The InChIKey is DOGQJERJKZUYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O2/c1-15-12-27(14-24-15)20-8-7-18(11-21(20)30-2)26-19-9-10-25-28(22(19)29)13-16-3-5-17(23)6-4-16/h3-12,14,26H,13H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one?
2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one has a molecular weight of 405.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]pyridazin-3-one is sourced from PubChem (CID 25225349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).