ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

C15H22N4O2 — CID 91605500

IUPACethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCNc1c(C(=O)OCC)c(CC)nc2[nH]ncc12
InChIInChI=1S/C15H22N4O2/c1-4-7-8-16-13-10-9-17-19-14(10)18-11(5-2)12(13)15(20)21-6-3/h9H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyYGXPBZXBIYCJKB-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.91
Rot. Bonds7

About ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 91605500) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID91605500
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Nameethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCNc1c(C(=O)OCC)c(CC)nc2[nH]ncc12
InChIInChI=1S/C15H22N4O2/c1-4-7-8-16-13-10-9-17-19-14(10)18-11(5-2)12(13)15(20)21-6-3/h9H,4-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyYGXPBZXBIYCJKB-UHFFFAOYSA-N
XLogP2.91
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 91605500) is ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCCCNc1c(C(=O)OCC)c(CC)nc2[nH]ncc12.
What is the InChIKey of ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YGXPBZXBIYCJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-7-8-16-13-10-9-17-19-14(10)18-11(5-2)12(13)15(20)21-6-3/h9H,4-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 290.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(butylamino)-6-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 91605500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).