4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid

C15H20N4O4 — CID 70394266

IUPAC4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid
SMILESCCOC(=O)c1cnc2cnn(CC)c2c1NCCCC(=O)O
InChIInChI=1S/C15H20N4O4/c1-3-19-14-11(9-18-19)17-8-10(15(22)23-4-2)13(14)16-7-5-6-12(20)21/h8-9H,3-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyZZMUXBVSXLGZGD-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.90
Rot. Bonds8

About 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid

4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid (PubChem CID 70394266) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid
PubChem CID70394266
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid
SMILESCCOC(=O)c1cnc2cnn(CC)c2c1NCCCC(=O)O
InChIInChI=1S/C15H20N4O4/c1-3-19-14-11(9-18-19)17-8-10(15(22)23-4-2)13(14)16-7-5-6-12(20)21/h8-9H,3-7H2,1-2H3,(H,16,17)(H,20,21)
InChIKeyZZMUXBVSXLGZGD-UHFFFAOYSA-N
XLogP1.90
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic 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

4-[(3-ethoxycarbonyl-2-pyridinyl)amino]butanoic acid
CID 24708096
3-[(7-ethoxycarbonyl-[1,2,5]thiadiazolo[3,4-h]quinolin-6-yl)amino]propanoic acid
CID 916166
ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydron;chloride
CID 91980760
ethyl 4-(2-phenylethylamino)quinoline-3-carboxylate
CID 709117
ethyl 4-methyl-2-(4,4,4-trifluorobutylamino)pyrimidine-5-carboxylate
CID 83178372
3-[[3,6-bis(ethoxycarbonyl)quinolin-4-yl]amino]propyl-dimethylazanium
CID 3354208
ethyl 1-ethyl-4-[(4-fluorophenyl)methylamino]pyrazolo[3,4-b]pyridine-5-carboxylate
CID 44561081
ethyl 4-[3-(dimethylamino)propylamino]-6-phenoxyquinoline-3-carboxylate
CID 172914482
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
ethyl 4-chloro-2-[(3-ethoxy-3-oxopropyl)amino]pyrimidine-5-carboxylate
CID 174635272
ethyl 5-amino-4-[3-[tert-butyl(dimethyl)silyl]oxypropylamino]-6-chloropyridine-3-carboxylate
CID 87184157
diethyl 4-[2-(dimethylamino)ethylamino]quinoline-3,6-dicarboxylate
CID 1078338

Frequently Asked Questions

What is the IUPAC name of 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid?
The IUPAC name of 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid (CID 70394266) is 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid?
The canonical SMILES for 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid is CCOC(=O)c1cnc2cnn(CC)c2c1NCCCC(=O)O.
What is the InChIKey of 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid?
The InChIKey is ZZMUXBVSXLGZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-3-19-14-11(9-18-19)17-8-10(15(22)23-4-2)13(14)16-7-5-6-12(20)21/h8-9H,3-7H2,1-2H3,(H,16,17)(H,20,21).
What are the key properties of 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid?
4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid has a molecular weight of 320.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-ethoxycarbonyl-1-ethylpyrazolo[4,3-b]pyridin-7-yl)amino]butanoic acid is sourced from PubChem (CID 70394266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).