1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide

C24H20FN5O3 — CID 45498060

IUPAC1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide
SMILESO=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C24H20FN5O3/c25-19-8-4-5-17(15-19)16-30-23(31)12-10-21(29-30)24(32)26-13-14-33-22-11-9-20(27-28-22)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2,(H,26,32)
InChIKeyAVFMLWXIBFBKJA-UHFFFAOYSA-N
MW445.45 g/mol
LogP2.70
Rot. Bonds8

About 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide

1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide (PubChem CID 45498060) has the molecular formula C24H20FN5O3 and a molecular weight of 445.45 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide
PubChem CID45498060
Molecular FormulaC24H20FN5O3
Molecular Weight445.45 g/mol
Exact Mass445.16
IUPAC Name1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide
SMILESO=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(=O)n(Cc2cccc(F)c2)n1
InChIInChI=1S/C24H20FN5O3/c25-19-8-4-5-17(15-19)16-30-23(31)12-10-21(29-30)24(32)26-13-14-33-22-11-9-20(27-28-22)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2,(H,26,32)
InChIKeyAVFMLWXIBFBKJA-UHFFFAOYSA-N
XLogP2.70
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide (CID 45498060) is 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide is O=C(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(=O)n(Cc2cccc(F)c2)n1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide?
The InChIKey is AVFMLWXIBFBKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O3/c25-19-8-4-5-17(15-19)16-30-23(31)12-10-21(29-30)24(32)26-13-14-33-22-11-9-20(27-28-22)18-6-2-1-3-7-18/h1-12,15H,13-14,16H2,(H,26,32).
What are the key properties of 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide?
1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide has a molecular weight of 445.45 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-6-oxo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 45498060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).