methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate

C13H16N4O3 — CID 156583875

IUPACmethyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C13H16N4O3/c1-17-11-6-9(7-15-10(11)8-16-17)13(19)14-5-3-4-12(18)20-2/h6-8H,3-5H2,1-2H3,(H,14,19)
InChIKeyHEUDFTLTMNUBLG-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.65
Rot. Bonds5

About methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate

methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate (PubChem CID 156583875) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate
PubChem CID156583875
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1cnc2cnn(C)c2c1
InChIInChI=1S/C13H16N4O3/c1-17-11-6-9(7-15-10(11)8-16-17)13(19)14-5-3-4-12(18)20-2/h6-8H,3-5H2,1-2H3,(H,14,19)
InChIKeyHEUDFTLTMNUBLG-UHFFFAOYSA-N
XLogP0.65
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate 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 4-benzamidobutanoate
CID 13197711
methyl 4-[(2-bromopyridine-4-carbonyl)amino]butanoate
CID 103752037
3-[4-[(6-methoxy-6-oxohexyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471172
methyl 6-(pyridine-4-carbonylamino)hexanoate
CID 39070425
methyl 3-[(5-aminopyridine-3-carbonyl)amino]propanoate
CID 110488353
methyl 3-[(5-fluoropyridine-3-carbonyl)amino]propanoate
CID 115694530
methyl 6-[(2,6-dichloropyridine-4-carbonyl)amino]hexanoate
CID 103605118
methyl 4-[(5-iodothiophene-3-carbonyl)amino]butanoate
CID 78950176
methyl 4-[(1-methyltriazole-4-carbonyl)amino]butanoate
CID 110461887
methyl 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]hexanoate
CID 113225419
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
N-(2-acetamidoethyl)-1-methylindazole-6-carboxamide
CID 110475586

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate (CID 156583875) is methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate is COC(=O)CCCNC(=O)c1cnc2cnn(C)c2c1.
What is the InChIKey of methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate?
The InChIKey is HEUDFTLTMNUBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17-11-6-9(7-15-10(11)8-16-17)13(19)14-5-3-4-12(18)20-2/h6-8H,3-5H2,1-2H3,(H,14,19).
What are the key properties of methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate?
methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate has a molecular weight of 276.30 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylpyrazolo[4,5-b]pyridine-6-carbonyl)amino]butanoate is sourced from PubChem (CID 156583875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).