1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

C24H18F2N6O3 — CID 70927140

IUPAC1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3nccc3OCF)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H18F2N6O3/c1-34-21-14-30(19-8-7-17(13-18(19)26)32-22(35-15-25)10-12-28-32)29-23(24(21)33)20-9-11-27-31(20)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyGRVTVNYROVLXLM-UHFFFAOYSA-N
MW476.44 g/mol
LogP3.72
Rot. Bonds7

About 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one

1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (PubChem CID 70927140) has the molecular formula C24H18F2N6O3 and a molecular weight of 476.44 g/mol. Its IUPAC name is 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
PubChem CID70927140
Molecular FormulaC24H18F2N6O3
Molecular Weight476.44 g/mol
Exact Mass476.14
IUPAC Name1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
SMILESCOc1cn(-c2ccc(-n3nccc3OCF)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O
InChIInChI=1S/C24H18F2N6O3/c1-34-21-14-30(19-8-7-17(13-18(19)26)32-22(35-15-25)10-12-28-32)29-23(24(21)33)20-9-11-27-31(20)16-5-3-2-4-6-16/h2-14H,15H2,1H3
InChIKeyGRVTVNYROVLXLM-UHFFFAOYSA-N
XLogP3.72
TPSA88.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The IUPAC name of 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one (CID 70927140) is 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one.
What is the SMILES notation for 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The canonical SMILES for 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is COc1cn(-c2ccc(-n3nccc3OCF)cc2F)nc(-c2ccnn2-c2ccccc2)c1=O.
What is the InChIKey of 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
The InChIKey is GRVTVNYROVLXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O3/c1-34-21-14-30(19-8-7-17(13-18(19)26)32-22(35-15-25)10-12-28-32)29-23(24(21)33)20-9-11-27-31(20)16-5-3-2-4-6-16/h2-14H,15H2,1H3.
What are the key properties of 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one?
1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one has a molecular weight of 476.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[5-(fluoromethoxy)pyrazol-1-yl]phenyl]-5-methoxy-3-(2-phenylpyrazol-3-yl)pyridazin-4-one is sourced from PubChem (CID 70927140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).