6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

C25H20FN5O4 — CID 58072477

IUPAC6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESCOc1cn(-c2ccc(N3CC4(CC4)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C25H20FN5O4/c1-34-21-14-30(19-8-7-17(13-18(19)26)29-15-25(10-11-25)35-24(29)33)28-22(23(21)32)20-9-12-27-31(20)16-5-3-2-4-6-16/h2-9,12-14H,10-11,15H2,1H3
InChIKeyMVARHSODMUZTRU-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.72
Rot. Bonds5

About 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one

6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (PubChem CID 58072477) has the molecular formula C25H20FN5O4 and a molecular weight of 473.46 g/mol. Its IUPAC name is 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.

Molecular Properties

Compound Name6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
PubChem CID58072477
Molecular FormulaC25H20FN5O4
Molecular Weight473.46 g/mol
Exact Mass473.15
IUPAC Name6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one
SMILESCOc1cn(-c2ccc(N3CC4(CC4)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C25H20FN5O4/c1-34-21-14-30(19-8-7-17(13-18(19)26)29-15-25(10-11-25)35-24(29)33)28-22(23(21)32)20-9-12-27-31(20)16-5-3-2-4-6-16/h2-9,12-14H,10-11,15H2,1H3
InChIKeyMVARHSODMUZTRU-UHFFFAOYSA-N
XLogP3.72
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The IUPAC name of 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one (CID 58072477) is 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one.
What is the SMILES notation for 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The canonical SMILES for 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one is COc1cn(-c2ccc(N3CC4(CC4)OC3=O)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
The InChIKey is MVARHSODMUZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O4/c1-34-21-14-30(19-8-7-17(13-18(19)26)29-15-25(10-11-25)35-24(29)33)28-22(23(21)32)20-9-12-27-31(20)16-5-3-2-4-6-16/h2-9,12-14H,10-11,15H2,1H3.
What are the key properties of 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one?
6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one has a molecular weight of 473.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-4-[5-methoxy-4-oxo-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-4-oxa-6-azaspiro[2.4]heptan-5-one is sourced from PubChem (CID 58072477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).