6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

C13H17N3O3 — CID 135782148

IUPAC6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCCCCn1ncc2c(=O)c(C(=O)O)c(C)[nH]c21
InChIInChI=1S/C13H17N3O3/c1-3-4-5-6-16-12-9(7-14-16)11(17)10(13(18)19)8(2)15-12/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNFEXNNJXPPECFJ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.92
Rot. Bonds5

About 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid

6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (PubChem CID 135782148) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
PubChem CID135782148
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
SMILESCCCCCn1ncc2c(=O)c(C(=O)O)c(C)[nH]c21
InChIInChI=1S/C13H17N3O3/c1-3-4-5-6-16-12-9(7-14-16)11(17)10(13(18)19)8(2)15-12/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyNFEXNNJXPPECFJ-UHFFFAOYSA-N
XLogP1.92
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-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

methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
2-butyl-5-oxo-3-propylpyridazine-4-carboxylic acid
CID 70450413
4-methyl-1-pentylpyrazole-5-carbaldehyde
CID 139675101
6-methyl-2-oxo-4-pentylsulfanyl-1H-pyrimidine-5-carboxylic acid
CID 43350609
1-hexyl-5-methylpyrazole-4-carbaldehyde
CID 139674807
4-chloro-5-hydroxy-2-pentylpyridazin-3-one
CID 54683702
6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68738502
2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
CID 70481084
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
ethyl 4-amino-6-ethyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590525
1-butyl-5-pyrazol-1-ylpyrazole-4-carboxylic acid
CID 69159846
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid (CID 135782148) is 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is CCCCCn1ncc2c(=O)c(C(=O)O)c(C)[nH]c21.
What is the InChIKey of 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
The InChIKey is NFEXNNJXPPECFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-4-5-6-16-12-9(7-14-16)11(17)10(13(18)19)8(2)15-12/h7H,3-6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid?
6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-pentyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 135782148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).