1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine

C19H23N3O — CID 168814989

IUPAC1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine
SMILESCOc1cc2c(cnn2C(C)(C)C)nc1-c1cccc(C)c1C
InChIInChI=1S/C19H23N3O/c1-12-8-7-9-14(13(12)2)18-17(23-6)10-16-15(21-18)11-20-22(16)19(3,4)5/h7-11H,1-6H3
InChIKeyXAUOQWCMFMDWMP-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.48
Rot. Bonds2

About 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine

1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine (PubChem CID 168814989) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine
PubChem CID168814989
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine
SMILESCOc1cc2c(cnn2C(C)(C)C)nc1-c1cccc(C)c1C
InChIInChI=1S/C19H23N3O/c1-12-8-7-9-14(13(12)2)18-17(23-6)10-16-15(21-18)11-20-22(16)19(3,4)5/h7-11H,1-6H3
InChIKeyXAUOQWCMFMDWMP-UHFFFAOYSA-N
XLogP4.48
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-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 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine?
The IUPAC name of 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine (CID 168814989) is 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine.
What is the SMILES notation for 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine?
The canonical SMILES for 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine is COc1cc2c(cnn2C(C)(C)C)nc1-c1cccc(C)c1C.
What is the InChIKey of 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine?
The InChIKey is XAUOQWCMFMDWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-12-8-7-9-14(13(12)2)18-17(23-6)10-16-15(21-18)11-20-22(16)19(3,4)5/h7-11H,1-6H3.
What are the key properties of 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine?
1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine has a molecular weight of 309.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(2,3-dimethylphenyl)-6-methoxypyrazolo[4,3-b]pyridine is sourced from PubChem (CID 168814989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).