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

C20H14F2N6OS — CID 58094819

IUPAC4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C20H14F2N6OS/c1-10-14(12-5-3-4-8-28(12)27-10)20-25-17(18(30-20)19-23-9-24-26-19)15-13(29-2)7-6-11(21)16(15)22/h3-9H,1-2H3,(H,23,24,26)
InChIKeyRFXGMRBSUUNRNF-UHFFFAOYSA-N
MW424.44 g/mol
LogP4.51
Rot. Bonds4

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

4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094819) has the molecular formula C20H14F2N6OS and a molecular weight of 424.44 g/mol. Its IUPAC name is 4-(2,3-difluoro-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-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58094819
Molecular FormulaC20H14F2N6OS
Molecular Weight424.44 g/mol
Exact Mass424.09
IUPAC Name4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCOc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C20H14F2N6OS/c1-10-14(12-5-3-4-8-28(12)27-10)20-25-17(18(30-20)19-23-9-24-26-19)15-13(29-2)7-6-11(21)16(15)22/h3-9H,1-2H3,(H,23,24,26)
InChIKeyRFXGMRBSUUNRNF-UHFFFAOYSA-N
XLogP4.51
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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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)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094819) is 4-(2,3-difluoro-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-(2,3-difluoro-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-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is COc1ccc(F)c(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.
What is the InChIKey of 4-(2,3-difluoro-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 RFXGMRBSUUNRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N6OS/c1-10-14(12-5-3-4-8-28(12)27-10)20-25-17(18(30-20)19-23-9-24-26-19)15-13(29-2)7-6-11(21)16(15)22/h3-9H,1-2H3,(H,23,24,26).
What are the key properties of 4-(2,3-difluoro-6-methoxyphenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2,3-difluoro-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 424.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 58094819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).