2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine

C18H21N3O — CID 169417519

IUPAC2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine
SMILESCCn1cc2c(C)cc(-c3ccc(OC)c(C)c3C)nc2n1
InChIInChI=1S/C18H21N3O/c1-6-21-10-15-11(2)9-16(19-18(15)20-21)14-7-8-17(22-5)13(4)12(14)3/h7-10H,6H2,1-5H3
InChIKeyPCSRDPGFTPFMRA-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.05
Rot. Bonds3

About 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine

2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine (PubChem CID 169417519) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine
PubChem CID169417519
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine
SMILESCCn1cc2c(C)cc(-c3ccc(OC)c(C)c3C)nc2n1
InChIInChI=1S/C18H21N3O/c1-6-21-10-15-11(2)9-16(19-18(15)20-21)14-7-8-17(22-5)13(4)12(14)3/h7-10H,6H2,1-5H3
InChIKeyPCSRDPGFTPFMRA-UHFFFAOYSA-N
XLogP4.05
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine 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 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine?
The IUPAC name of 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine (CID 169417519) is 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine is CCn1cc2c(C)cc(-c3ccc(OC)c(C)c3C)nc2n1.
What is the InChIKey of 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine?
The InChIKey is PCSRDPGFTPFMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-6-21-10-15-11(2)9-16(19-18(15)20-21)14-7-8-17(22-5)13(4)12(14)3/h7-10H,6H2,1-5H3.
What are the key properties of 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine?
2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-methoxy-2,3-dimethylphenyl)-4-methylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 169417519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).