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

C25H22FN5O4 — CID 46849080

IUPAC3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cn(-c2ccc(N3CC(C)(C)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C25H22FN5O4/c1-25(2)15-29(24(33)35-25)17-9-10-19(18(26)13-17)30-14-21(34-3)23(32)22(28-30)20-11-12-27-31(20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKeyCCAYJZOYRIRGSJ-UHFFFAOYSA-N
MW475.48 g/mol
LogP3.97
Rot. Bonds5

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

3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (PubChem CID 46849080) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 3-[3-fluoro-4-[5-methoxy-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-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
PubChem CID46849080
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one
SMILESCOc1cn(-c2ccc(N3CC(C)(C)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C25H22FN5O4/c1-25(2)15-29(24(33)35-25)17-9-10-19(18(26)13-17)30-14-21(34-3)23(32)22(28-30)20-11-12-27-31(20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3
InChIKeyCCAYJZOYRIRGSJ-UHFFFAOYSA-N
XLogP3.97
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[5-methoxy-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-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one (CID 46849080) is 3-[3-fluoro-4-[5-methoxy-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-[5-methoxy-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-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is COc1cn(-c2ccc(N3CC(C)(C)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
The InChIKey is CCAYJZOYRIRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-25(2)15-29(24(33)35-25)17-9-10-19(18(26)13-17)30-14-21(34-3)23(32)22(28-30)20-11-12-27-31(20)16-7-5-4-6-8-16/h4-14H,15H2,1-3H3.
What are the key properties of 3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one has a molecular weight of 475.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-5,5-dimethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 46849080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).