(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

C15H15N3O3S — CID 154752453

IUPAC(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1c(C(=O)OCc2sccc2C)cnc2c1cnn2C
InChIInChI=1S/C15H15N3O3S/c1-9-4-5-22-12(9)8-21-15(19)11-6-16-14-10(13(11)20-3)7-17-18(14)2/h4-7H,8H2,1-3H3
InChIKeyFYZJICIZDGEDBW-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.70
Rot. Bonds4

About (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate

(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 154752453) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID154752453
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOc1c(C(=O)OCc2sccc2C)cnc2c1cnn2C
InChIInChI=1S/C15H15N3O3S/c1-9-4-5-22-12(9)8-21-15(19)11-6-16-14-10(13(11)20-3)7-17-18(14)2/h4-7H,8H2,1-3H3
InChIKeyFYZJICIZDGEDBW-UHFFFAOYSA-N
XLogP2.70
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[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 (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 154752453) is (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is COc1c(C(=O)OCc2sccc2C)cnc2c1cnn2C.
What is the InChIKey of (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is FYZJICIZDGEDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-9-4-5-22-12(9)8-21-15(19)11-6-16-14-10(13(11)20-3)7-17-18(14)2/h4-7H,8H2,1-3H3.
What are the key properties of (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate?
(3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 317.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)methyl 4-methoxy-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 154752453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).