1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

C14H13N3O4 — CID 43359816

IUPAC1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C1CCC(C(=O)N2c3ccccc3CC2C(=O)O)=NN1
InChIInChI=1S/C14H13N3O4/c18-12-6-5-9(15-16-12)13(19)17-10-4-2-1-3-8(10)7-11(17)14(20)21/h1-4,11H,5-7H2,(H,16,18)(H,20,21)
InChIKeyLCRVVFKWIDNIIE-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.29
Rot. Bonds2

About 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid

1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 43359816) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID43359816
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C1CCC(C(=O)N2c3ccccc3CC2C(=O)O)=NN1
InChIInChI=1S/C14H13N3O4/c18-12-6-5-9(15-16-12)13(19)17-10-4-2-1-3-8(10)7-11(17)14(20)21/h1-4,11H,5-7H2,(H,16,18)(H,20,21)
InChIKeyLCRVVFKWIDNIIE-UHFFFAOYSA-N
XLogP0.29
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 7211279
1-(2-iodobenzoyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196844
1-(furan-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 43196856
(2S)-1-(3-amino-2,2,3-trimethylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 65270017
1-(1,2,5-thiadiazole-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 112728200
1-(1,3-thiazole-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 55145615
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(6-chloropyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61144897
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 9335607
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
(2S)-1-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
CID 10108440

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid (CID 43359816) is 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is O=C1CCC(C(=O)N2c3ccccc3CC2C(=O)O)=NN1.
What is the InChIKey of 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is LCRVVFKWIDNIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12-6-5-9(15-16-12)13(19)17-10-4-2-1-3-8(10)7-11(17)14(20)21/h1-4,11H,5-7H2,(H,16,18)(H,20,21).
What are the key properties of 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid?
1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 43359816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).