ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

C13H17N3O2 — CID 123464985

IUPACethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)10-6-9(4)15-12-11(10)7-14-16(12)8(2)3/h6-8H,5H2,1-4H3
InChIKeyPGDHTAFBVCVANY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.50
Rot. Bonds3

About ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate

ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 123464985) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID123464985
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Nameethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1cnn2C(C)C
InChIInChI=1S/C13H17N3O2/c1-5-18-13(17)10-6-9(4)15-12-11(10)7-14-16(12)8(2)3/h6-8H,5H2,1-4H3
InChIKeyPGDHTAFBVCVANY-UHFFFAOYSA-N
XLogP2.50
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-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 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 123464985) is ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(C)nc2c1cnn2C(C)C.
What is the InChIKey of ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is PGDHTAFBVCVANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-5-18-13(17)10-6-9(4)15-12-11(10)7-14-16(12)8(2)3/h6-8H,5H2,1-4H3.
What are the key properties of ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 247.30 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 123464985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).