5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid

C18H12N4O4 — CID 139351039

IUPAC5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2-c2cccc3[nH]ncc23)cc(O)c1=O
InChIInChI=1S/C18H12N4O4/c23-15-9-22(21-16(17(15)24)18(25)26)14-7-2-1-4-11(14)10-5-3-6-13-12(10)8-19-20-13/h1-9,23H,(H,19,20)(H,25,26)
InChIKeyCQSGWSOFYAEFDQ-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.18
Rot. Bonds3

About 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid

5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid (PubChem CID 139351039) has the molecular formula C18H12N4O4 and a molecular weight of 348.32 g/mol. Its IUPAC name is 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid
PubChem CID139351039
Molecular FormulaC18H12N4O4
Molecular Weight348.32 g/mol
Exact Mass348.09
IUPAC Name5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid
SMILESO=C(O)c1nn(-c2ccccc2-c2cccc3[nH]ncc23)cc(O)c1=O
InChIInChI=1S/C18H12N4O4/c23-15-9-22(21-16(17(15)24)18(25)26)14-7-2-1-4-11(14)10-5-3-6-13-12(10)8-19-20-13/h1-9,23H,(H,19,20)(H,25,26)
InChIKeyCQSGWSOFYAEFDQ-UHFFFAOYSA-N
XLogP2.18
TPSA121.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromophenyl)-4-hydroxypyrazole-3-carboxylic acid
CID 43133856
1H-indazol-4-yl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 51128607
2-amino-5-hydroxy-1-[3-(1H-indazol-4-yl)-4-methylphenyl]pyridin-4-one
CID 155472724
1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxamide
CID 123572189
3-acetyl-5-hydroxy-1-[2-(4-methylpiperazin-1-yl)phenyl]pyridazin-4-one
CID 122448879
3-(1H-indazol-4-yl)phenol
CID 83445848
ethyl 1-[2-(benzenesulfonyl)phenyl]-5-hydroxy-4-oxopyridazine-3-carboxylate
CID 123929243
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
N-[4-(1H-indazol-4-yl)phenyl]acetamide
CID 146128615
2-(1H-indazol-4-yl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 57474731
3-hydroxy-1-[6-(1H-indazol-4-yl)-2-pyridinyl]-4H-pyridine-4-carbaldehyde
CID 174671201
5-amino-2-chloro-6-(1H-indazol-4-yl)pyrimidine-4-carboxamide
CID 170346793

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid (CID 139351039) is 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid is O=C(O)c1nn(-c2ccccc2-c2cccc3[nH]ncc23)cc(O)c1=O.
What is the InChIKey of 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid?
The InChIKey is CQSGWSOFYAEFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O4/c23-15-9-22(21-16(17(15)24)18(25)26)14-7-2-1-4-11(14)10-5-3-6-13-12(10)8-19-20-13/h1-9,23H,(H,19,20)(H,25,26).
What are the key properties of 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid?
5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid has a molecular weight of 348.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-[2-(1H-indazol-4-yl)phenyl]-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 139351039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).