4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C20H15FN6OS — CID 58094815

IUPAC4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C20H15FN6OS/c1-11-15(13-7-3-4-9-27(13)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(21)6-5-8-14(16)28-2/h3-10H,1-2H3,(H,22,23,25)
InChIKeyYVYBAQZYOIPVDF-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.37
Rot. Bonds4

About 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094815) has the molecular formula C20H15FN6OS and a molecular weight of 406.45 g/mol. Its IUPAC name is 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58094815
Molecular FormulaC20H15FN6OS
Molecular Weight406.45 g/mol
Exact Mass406.10
IUPAC Name4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C20H15FN6OS/c1-11-15(13-7-3-4-9-27(13)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(21)6-5-8-14(16)28-2/h3-10H,1-2H3,(H,22,23,25)
InChIKeyYVYBAQZYOIPVDF-UHFFFAOYSA-N
XLogP4.37
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094815) is 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is COc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.
What is the InChIKey of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is YVYBAQZYOIPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6OS/c1-11-15(13-7-3-4-9-27(13)26-11)20-24-17(18(29-20)19-22-10-23-25-19)16-12(21)6-5-8-14(16)28-2/h3-10H,1-2H3,(H,22,23,25).
What are the key properties of 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 406.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58094815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).