5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole

C17H13N5OS — CID 91219193

IUPAC5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cncs3)c12
InChIInChI=1S/C17H13N5OS/c1-21-9-14(7-19-21)13-5-16(23-2)17-12(6-20-22(17)10-13)3-4-15-8-18-11-24-15/h5-11H,1-2H3
InChIKeyIJTAQBZFUNRDJP-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.60
Rot. Bonds2

About 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole

5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole (PubChem CID 91219193) has the molecular formula C17H13N5OS and a molecular weight of 335.39 g/mol. Its IUPAC name is 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole
PubChem CID91219193
Molecular FormulaC17H13N5OS
Molecular Weight335.39 g/mol
Exact Mass335.08
IUPAC Name5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cncs3)c12
InChIInChI=1S/C17H13N5OS/c1-21-9-14(7-19-21)13-5-16(23-2)17-12(6-20-22(17)10-13)3-4-15-8-18-11-24-15/h5-11H,1-2H3
InChIKeyIJTAQBZFUNRDJP-UHFFFAOYSA-N
XLogP2.60
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole 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 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole?
The IUPAC name of 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole (CID 91219193) is 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole?
The canonical SMILES for 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole is COc1cc(-c2cnn(C)c2)cn2ncc(C#Cc3cncs3)c12.
What is the InChIKey of 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole?
The InChIKey is IJTAQBZFUNRDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5OS/c1-21-9-14(7-19-21)13-5-16(23-2)17-12(6-20-22(17)10-13)3-4-15-8-18-11-24-15/h5-11H,1-2H3.
What are the key properties of 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole?
5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole has a molecular weight of 335.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]ethynyl]-1,3-thiazole is sourced from PubChem (CID 91219193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).