4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one

C17H14ClF2N3O3 — CID 133490885

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O3/c18-16-13(22-12(5-6-24)15-2-1-7-26-15)9-21-23(17(16)25)14-4-3-10(19)8-11(14)20/h1-4,7-9,12,22,24H,5-6H2
InChIKeyNDGHZPNOKFUBJQ-UHFFFAOYSA-N
MW381.77 g/mol
LogP3.29
Rot. Bonds6

About 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one (PubChem CID 133490885) has the molecular formula C17H14ClF2N3O3 and a molecular weight of 381.77 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
PubChem CID133490885
Molecular FormulaC17H14ClF2N3O3
Molecular Weight381.77 g/mol
Exact Mass381.07
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
SMILESO=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(F)cc1F
InChIInChI=1S/C17H14ClF2N3O3/c18-16-13(22-12(5-6-24)15-2-1-7-26-15)9-21-23(17(16)25)14-4-3-10(19)8-11(14)20/h1-4,7-9,12,22,24H,5-6H2
InChIKeyNDGHZPNOKFUBJQ-UHFFFAOYSA-N
XLogP3.29
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.77
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(4-chlorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490811
(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-[[phenyl(pyridin-2-yl)methyl]amino]pyridazin-3-one
CID 56584790
4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
CID 133439464
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
4-chloro-2-(2,4-difluorophenyl)-5-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]pyridazin-3-one
CID 97016984
4-chloro-5-[[3-(2,2-difluoroethoxy)phenyl]methylamino]-2-(2,4-difluorophenyl)pyridazin-3-one
CID 133275549
4-chloro-2-(2,4-difluorophenyl)-5-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503
4-chloro-2-(2,4-difluorophenyl)-5-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyridazin-3-one
CID 94414792
4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
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-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
CID 133375445

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one (CID 133490885) is 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one is O=c1c(Cl)c(NC(CCO)c2ccco2)cnn1-c1ccc(F)cc1F.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
The InChIKey is NDGHZPNOKFUBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O3/c18-16-13(22-12(5-6-24)15-2-1-7-26-15)9-21-23(17(16)25)14-4-3-10(19)8-11(14)20/h1-4,7-9,12,22,24H,5-6H2.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one has a molecular weight of 381.77 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one is sourced from PubChem (CID 133490885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).