1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C11H9N5OS — CID 154377552

IUPAC1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2c(cnn2Cc2nccs2)c1
InChIInChI=1S/C11H9N5OS/c12-10(17)7-3-8-5-15-16(11(8)14-4-7)6-9-13-1-2-18-9/h1-5H,6H2,(H2,12,17)
InChIKeyQNMLFAUKGWUDQO-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.03
Rot. Bonds3

About 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 154377552) has the molecular formula C11H9N5OS and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID154377552
Molecular FormulaC11H9N5OS
Molecular Weight259.29 g/mol
Exact Mass259.05
IUPAC Name1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESNC(=O)c1cnc2c(cnn2Cc2nccs2)c1
InChIInChI=1S/C11H9N5OS/c12-10(17)7-3-8-5-15-16(11(8)14-4-7)6-9-13-1-2-18-9/h1-5H,6H2,(H2,12,17)
InChIKeyQNMLFAUKGWUDQO-UHFFFAOYSA-N
XLogP1.03
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide 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-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 154377552) is 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is NC(=O)c1cnc2c(cnn2Cc2nccs2)c1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QNMLFAUKGWUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5OS/c12-10(17)7-3-8-5-15-16(11(8)14-4-7)6-9-13-1-2-18-9/h1-5H,6H2,(H2,12,17).
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 259.29 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 154377552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).