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

C18H20ClF2N3O2 — CID 133439464

IUPAC4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1(C)CC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C(C)(C)O1
InChIInChI=1S/C18H20ClF2N3O2/c1-17(2)8-14(18(3,4)26-17)23-12-9-22-24(16(25)15(12)19)13-6-5-10(20)7-11(13)21/h5-7,9,14,23H,8H2,1-4H3
InChIKeyTZCOJXDPIPIWEW-UHFFFAOYSA-N
MW383.83 g/mol
LogP3.92
Rot. Bonds3

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

4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one (PubChem CID 133439464) has the molecular formula C18H20ClF2N3O2 and a molecular weight of 383.83 g/mol. Its IUPAC name is 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
PubChem CID133439464
Molecular FormulaC18H20ClF2N3O2
Molecular Weight383.83 g/mol
Exact Mass383.12
IUPAC Name4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one
SMILESCC1(C)CC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C(C)(C)O1
InChIInChI=1S/C18H20ClF2N3O2/c1-17(2)8-14(18(3,4)26-17)23-12-9-22-24(16(25)15(12)19)13-6-5-10(20)7-11(13)21/h5-7,9,14,23H,8H2,1-4H3
InChIKeyTZCOJXDPIPIWEW-UHFFFAOYSA-N
XLogP3.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-(2,4-difluorophenyl)-5-[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]pyridazin-3-one
CID 133281758
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]amino]pyridazin-3-one
CID 133353923
4-chloro-2-(2,4-difluorophenyl)-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]pyridazin-3-one
CID 133376491
4-chloro-2-(2,4-difluorophenyl)-5-[(2-oxo-1-phenylpyrrolidin-3-yl)amino]pyridazin-3-one
CID 133296397
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-[[1-(furan-2-yl)-3-hydroxypropyl]amino]pyridazin-3-one
CID 133490885
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-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methylamino]pyridazin-3-one
CID 97016984
4-[[5-chloro-1-(2,4-difluorophenyl)-6-oxopyridazin-4-yl]amino]-4-methylpentanoic acid
CID 122059167
4-chloro-2-(2,4-difluorophenyl)-5-[(4-methylsulfonylphenyl)methylamino]pyridazin-3-one
CID 60502921
(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-[[2-hydroxy-2-(1-methylpyrazol-4-yl)ethyl]amino]pyridazin-3-one
CID 133323503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one (CID 133439464) is 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one is CC1(C)CC(Nc2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)C(C)(C)O1.
What is the InChIKey of 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one?
The InChIKey is TZCOJXDPIPIWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClF2N3O2/c1-17(2)8-14(18(3,4)26-17)23-12-9-22-24(16(25)15(12)19)13-6-5-10(20)7-11(13)21/h5-7,9,14,23H,8H2,1-4H3.
What are the key properties of 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one?
4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one has a molecular weight of 383.83 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4-difluorophenyl)-5-[(2,2,5,5-tetramethyloxolan-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 133439464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).