2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid

C26H20FN3O5 — CID 54739157

IUPAC2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccc(F)cc2)nn(Cc2ccc(-c3ccccc3)cc2)c1=O
InChIInChI=1S/C26H20FN3O5/c27-20-12-10-19(11-13-20)23-24(33)22(25(34)28-14-21(31)32)26(35)30(29-23)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,33H,14-15H2,(H,28,34)(H,31,32)
InChIKeyQIFUJJUUMQMROD-UHFFFAOYSA-N
MW473.46 g/mol
LogP3.28
Rot. Bonds7

About 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid

2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid (PubChem CID 54739157) has the molecular formula C26H20FN3O5 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
PubChem CID54739157
Molecular FormulaC26H20FN3O5
Molecular Weight473.46 g/mol
Exact Mass473.14
IUPAC Name2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)c(-c2ccc(F)cc2)nn(Cc2ccc(-c3ccccc3)cc2)c1=O
InChIInChI=1S/C26H20FN3O5/c27-20-12-10-19(11-13-20)23-24(33)22(25(34)28-14-21(31)32)26(35)30(29-23)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,33H,14-15H2,(H,28,34)(H,31,32)
InChIKeyQIFUJJUUMQMROD-UHFFFAOYSA-N
XLogP3.28
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid (CID 54739157) is 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1c(O)c(-c2ccc(F)cc2)nn(Cc2ccc(-c3ccccc3)cc2)c1=O.
What is the InChIKey of 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
The InChIKey is QIFUJJUUMQMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O5/c27-20-12-10-19(11-13-20)23-24(33)22(25(34)28-14-21(31)32)26(35)30(29-23)15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,33H,14-15H2,(H,28,34)(H,31,32).
What are the key properties of 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid?
2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid has a molecular weight of 473.46 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 54739157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).