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

C19H14F2N4O2S — CID 66855052

IUPAC4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O
InChIInChI=1S/C19H14F2N4O2S/c1-9-13(11-5-3-4-8-25(11)24-9)19-23-16(17(28-19)18(22)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H2,22,26)
InChIKeyYLMIKNRPCVZXJW-UHFFFAOYSA-N
MW400.41 g/mol
LogP3.82
Rot. Bonds4

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

4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (PubChem CID 66855052) has the molecular formula C19H14F2N4O2S and a molecular weight of 400.41 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-carboxamide.

Molecular Properties

Compound Name4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
PubChem CID66855052
Molecular FormulaC19H14F2N4O2S
Molecular Weight400.41 g/mol
Exact Mass400.08
IUPAC Name4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=O
InChIInChI=1S/C19H14F2N4O2S/c1-9-13(11-5-3-4-8-25(11)24-9)19-23-16(17(28-19)18(22)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H2,22,26)
InChIKeyYLMIKNRPCVZXJW-UHFFFAOYSA-N
XLogP3.82
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 53.82
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-carboxamide?
The IUPAC name of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide (CID 66855052) is 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide.
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-carboxamide?
The canonical SMILES for 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide is COc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1C(N)=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-carboxamide?
The InChIKey is YLMIKNRPCVZXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O2S/c1-9-13(11-5-3-4-8-25(11)24-9)19-23-16(17(28-19)18(22)26)14-12(27-2)7-6-10(20)15(14)21/h3-8H,1-2H3,(H2,22,26).
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-carboxamide?
4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 400.41 g/mol, XLogP of 3.82, 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-carboxamide is sourced from PubChem (CID 66855052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).