N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

C16H12N4OS — CID 71790676

IUPACN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cnn2ccccc12)c1ccc2ncsc2c1
InChIInChI=1S/C16H12N4OS/c21-16(11-4-5-13-15(7-11)22-10-18-13)17-8-12-9-19-20-6-2-1-3-14(12)20/h1-7,9-10H,8H2,(H,17,21)
InChIKeyXKUOGSIRQKEAPO-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.87
Rot. Bonds3

About N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 71790676) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID71790676
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCc1cnn2ccccc12)c1ccc2ncsc2c1
InChIInChI=1S/C16H12N4OS/c21-16(11-4-5-13-15(7-11)22-10-18-13)17-8-12-9-19-20-6-2-1-3-14(12)20/h1-7,9-10H,8H2,(H,17,21)
InChIKeyXKUOGSIRQKEAPO-UHFFFAOYSA-N
XLogP2.87
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-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 N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide (CID 71790676) is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCc1cnn2ccccc12)c1ccc2ncsc2c1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is XKUOGSIRQKEAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c21-16(11-4-5-13-15(7-11)22-10-18-13)17-8-12-9-19-20-6-2-1-3-14(12)20/h1-7,9-10H,8H2,(H,17,21).
What are the key properties of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide?
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 308.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 71790676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).