4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one

C17H14ClF2N3O2 — CID 133382272

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
SMILESCc1ccc(CN(C)c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)o1
InChIInChI=1S/C17H14ClF2N3O2/c1-10-3-5-12(25-10)9-22(2)15-8-21-23(17(24)16(15)18)14-6-4-11(19)7-13(14)20/h3-8H,9H2,1-2H3
InChIKeyHKOBWRCEBBUOSA-UHFFFAOYSA-N
MW365.77 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one

4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one (PubChem CID 133382272) has the molecular formula C17H14ClF2N3O2 and a molecular weight of 365.77 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
PubChem CID133382272
Molecular FormulaC17H14ClF2N3O2
Molecular Weight365.77 g/mol
Exact Mass365.07
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one
SMILESCc1ccc(CN(C)c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)o1
InChIInChI=1S/C17H14ClF2N3O2/c1-10-3-5-12(25-10)9-22(2)15-8-21-23(17(24)16(15)18)14-6-4-11(19)7-13(14)20/h3-8H,9H2,1-2H3
InChIKeyHKOBWRCEBBUOSA-UHFFFAOYSA-N
XLogP3.70
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.77
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylpyridazin-3-one
CID 9195137
2-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]-methylamino]-N,N-dimethylacetamide
CID 55831832
4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
4-chloro-5-[(3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 33287328
4-chloro-2-(2,4-dichlorophenyl)-5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]pyridazin-3-one
CID 133274845
4-chloro-2-(2,4-difluorophenyl)-5-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]pyridazin-3-one
CID 97016984
4-chloro-5-[(4-chloro-3-fluorophenyl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133431106
4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
CID 133439464
4-chloro-2-(2,4-difluorophenyl)-5-[[2-(3-methylpyrazol-1-yl)phenyl]methylamino]pyridazin-3-one
CID 133375445
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
2-[4-[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]piperazin-1-yl]-N,N-diethylacetamide
CID 55832917

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one (CID 133382272) is 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one is Cc1ccc(CN(C)c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)o1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one?
The InChIKey is HKOBWRCEBBUOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2N3O2/c1-10-3-5-12(25-10)9-22(2)15-8-21-23(17(24)16(15)18)14-6-4-11(19)7-13(14)20/h3-8H,9H2,1-2H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one has a molecular weight of 365.77 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[methyl-[(5-methylfuran-2-yl)methyl]amino]pyridazin-3-one is sourced from PubChem (CID 133382272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).