4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one

C19H14ClF4N3O2 — CID 133275549

IUPAC4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccc(OCC(F)F)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C19H14ClF4N3O2/c20-18-15(25-8-11-2-1-3-13(6-11)29-10-17(23)24)9-26-27(19(18)28)16-5-4-12(21)7-14(16)22/h1-7,9,17,25H,8,10H2
InChIKeyUQMCIIOFJFZUQR-UHFFFAOYSA-N
MW427.79 g/mol
LogP4.42
Rot. Bonds7

About 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one

4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one (PubChem CID 133275549) has the molecular formula C19H14ClF4N3O2 and a molecular weight of 427.79 g/mol. Its IUPAC name is 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
PubChem CID133275549
Molecular FormulaC19H14ClF4N3O2
Molecular Weight427.79 g/mol
Exact Mass427.07
IUPAC Name4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
SMILESO=c1c(Cl)c(NCc2cccc(OCC(F)F)c2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C19H14ClF4N3O2/c20-18-15(25-8-11-2-1-3-13(6-11)29-10-17(23)24)9-26-27(19(18)28)16-5-4-12(21)7-14(16)22/h1-7,9,17,25H,8,10H2
InChIKeyUQMCIIOFJFZUQR-UHFFFAOYSA-N
XLogP4.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.79
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
4-chloro-5-[(2-cyclopentyloxy-3-pyridinyl)methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 60502435
4-chloro-2-(2,4-difluorophenyl)-5-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]pyridazin-3-one
CID 97016984
4-chloro-2-(2,4-difluorophenyl)-5-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
CID 56584790
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490885
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
(2S)-2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122050240
4-chloro-2-(2,4-difluorophenyl)-5-[[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]pyridazin-3-one
CID 97079097
4-chloro-2-(2,4-difluorophenyl)-5-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyridazin-3-one
CID 94414792
4-chloro-5-[(3-methoxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114433908
4-chloro-5-[(3-fluoro-4-methylphenyl)methylamino]-2-phenylpyridazin-3-one
CID 18291225
4-chloro-5-[(3-fluoro-4-pyridin-3-yloxyphenyl)methylamino]-2-phenylpyridazin-3-one
CID 133274440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one (CID 133275549) is 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one is O=c1c(Cl)c(NCc2cccc(OCC(F)F)c2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
The InChIKey is UQMCIIOFJFZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4N3O2/c20-18-15(25-8-11-2-1-3-13(6-11)29-10-17(23)24)9-26-27(19(18)28)16-5-4-12(21)7-14(16)22/h1-7,9,17,25H,8,10H2.
What are the key properties of 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one?
4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one has a molecular weight of 427.79 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one is sourced from PubChem (CID 133275549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).