4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid

C19H13F2N3O3S — CID 66855453

IUPAC4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O
InChIInChI=1S/C19H13F2N3O3S/c1-9-13(11-5-3-4-8-24(11)23-9)18-22-16(17(28-18)19(25)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H,25,26)
InChIKeyURQVQGOHVHEANN-UHFFFAOYSA-N
MW401.39 g/mol
LogP4.42
Rot. Bonds4

About 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid

4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 66855453) has the molecular formula C19H13F2N3O3S and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID66855453
Molecular FormulaC19H13F2N3O3S
Molecular Weight401.39 g/mol
Exact Mass401.06
IUPAC Name4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O
InChIInChI=1S/C19H13F2N3O3S/c1-9-13(11-5-3-4-8-24(11)23-9)18-22-16(17(28-18)19(25)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H,25,26)
InChIKeyURQVQGOHVHEANN-UHFFFAOYSA-N
XLogP4.42
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid (CID 66855453) is 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid is COc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(=O)O.
What is the InChIKey of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is URQVQGOHVHEANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O3S/c1-9-13(11-5-3-4-8-24(11)23-9)18-22-16(17(28-18)19(25)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H,25,26).
What are the key properties of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid?
4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 401.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66855453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).