3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

C24H20FN5O3 — CID 58577260

IUPAC3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H20FN5O3/c1-24(2)15-28(23(32)33-24)17-8-9-19(18(25)14-17)29-13-11-21(31)22(27-29)20-10-12-26-30(20)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyXMYZJLRSTXBSMF-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.96
Rot. Bonds4

About 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one

3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 58577260) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID58577260
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCC1(C)CN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C(=O)O1
InChIInChI=1S/C24H20FN5O3/c1-24(2)15-28(23(32)33-24)17-8-9-19(18(25)14-17)29-13-11-21(31)22(27-29)20-10-12-26-30(20)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyXMYZJLRSTXBSMF-UHFFFAOYSA-N
XLogP3.96
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 58577260) is 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is CC1(C)CN(c2ccc(-n3ccc(=O)c(-c4ccnn4-c4ccccc4)n3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is XMYZJLRSTXBSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c1-24(2)15-28(23(32)33-24)17-8-9-19(18(25)14-17)29-13-11-21(31)22(27-29)20-10-12-26-30(20)16-6-4-3-5-7-16/h3-14H,15H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 445.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58577260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).