4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

C17H12F2N4O4S — CID 154690839

IUPAC4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3nc(OC(F)F)c(C(=O)O)s3)cc12
InChIInChI=1S/C17H12F2N4O4S/c1-7-12(8(2)27-22-7)10-6-20-23-4-3-9(5-11(10)23)15-21-14(26-17(18)19)13(28-15)16(24)25/h3-6,17H,1-2H3,(H,24,25)
InChIKeyQABYGIXTFRLYDE-UHFFFAOYSA-N
MW406.37 g/mol
LogP4.03
Rot. Bonds5

About 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 154690839) has the molecular formula C17H12F2N4O4S and a molecular weight of 406.37 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID154690839
Molecular FormulaC17H12F2N4O4S
Molecular Weight406.37 g/mol
Exact Mass406.05
IUPAC Name4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3nc(OC(F)F)c(C(=O)O)s3)cc12
InChIInChI=1S/C17H12F2N4O4S/c1-7-12(8(2)27-22-7)10-6-20-23-4-3-9(5-11(10)23)15-21-14(26-17(18)19)13(28-15)16(24)25/h3-6,17H,1-2H3,(H,24,25)
InChIKeyQABYGIXTFRLYDE-UHFFFAOYSA-N
XLogP4.03
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (CID 154690839) is 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is Cc1noc(C)c1-c1cnn2ccc(-c3nc(OC(F)F)c(C(=O)O)s3)cc12.
What is the InChIKey of 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is QABYGIXTFRLYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4S/c1-7-12(8(2)27-22-7)10-6-20-23-4-3-9(5-11(10)23)15-21-14(26-17(18)19)13(28-15)16(24)25/h3-6,17H,1-2H3,(H,24,25).
What are the key properties of 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 406.37 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154690839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).