3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid

C17H11N3O3 — CID 136691479

IUPAC3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid
SMILESO=C(O)c1c(=O)n(-c2ccccc2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C17H11N3O3/c21-16-13(17(22)23)15-14(11-8-4-5-9-12(11)18-15)19-20(16)10-6-2-1-3-7-10/h1-9,18H,(H,22,23)
InChIKeyZZVNRKHCNTUORU-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.57
Rot. Bonds2

About 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid

3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid (PubChem CID 136691479) has the molecular formula C17H11N3O3 and a molecular weight of 305.29 g/mol. Its IUPAC name is 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid
PubChem CID136691479
Molecular FormulaC17H11N3O3
Molecular Weight305.29 g/mol
Exact Mass305.08
IUPAC Name3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid
SMILESO=C(O)c1c(=O)n(-c2ccccc2)nc2c1[nH]c1ccccc12
InChIInChI=1S/C17H11N3O3/c21-16-13(17(22)23)15-14(11-8-4-5-9-12(11)18-15)19-20(16)10-6-2-1-3-7-10/h1-9,18H,(H,22,23)
InChIKeyZZVNRKHCNTUORU-UHFFFAOYSA-N
XLogP2.57
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-methylphenyl)-3-oxo-5H-pyridazino[4,3-b]indole-4-carboxylic acid
CID 136691483
4-methoxy-10H-indolo[3,2-b]quinoline-11-carboxylic acid
CID 10493837
4-(hydroxymethyl)-2-phenylphthalazin-1-one
CID 12649918
2-(8-fluoro-4-oxo-3-phenyl-5H-pyridazino[4,5-b]indol-1-yl)acetic acid
CID 135810260
N,2-diphenyl-5H-pyridazino[4,3-b]indol-3-imine
CID 139224028
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
2,9-dioxo-1,4-dihydropyrazolo[5,1-b]quinazoline-3-carboxylic acid
CID 68631115
2-chloro-9H-carbazole-1-carboxylic acid
CID 174862025
4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
N-acetyl-N-(4-oxo-3-phenylphthalazin-1-yl)acetamide
CID 52937819
2-methyl-4H-thieno[3,2-b]indole-3-carboxylic acid
CID 12839105

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid?
The IUPAC name of 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid (CID 136691479) is 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid.
What is the SMILES notation for 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid?
The canonical SMILES for 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid is O=C(O)c1c(=O)n(-c2ccccc2)nc2c1[nH]c1ccccc12.
What is the InChIKey of 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid?
The InChIKey is ZZVNRKHCNTUORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O3/c21-16-13(17(22)23)15-14(11-8-4-5-9-12(11)18-15)19-20(16)10-6-2-1-3-7-10/h1-9,18H,(H,22,23).
What are the key properties of 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid?
3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid has a molecular weight of 305.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-phenyl-5H-pyridazino[4,3-b]indole-4-carboxylic acid is sourced from PubChem (CID 136691479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).