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

C21H17FN6OS — CID 58094737

IUPAC4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C21H17FN6OS/c1-3-29-15-9-6-7-13(22)17(15)18-19(20-23-11-24-26-20)30-21(25-18)16-12(2)27-28-10-5-4-8-14(16)28/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyNJORCUIFTAGSCH-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.76
Rot. Bonds5

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

4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 58094737) has the molecular formula C21H17FN6OS and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-(2-ethoxy-6-fluorophenyl)-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-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID58094737
Molecular FormulaC21H17FN6OS
Molecular Weight420.47 g/mol
Exact Mass420.12
IUPAC Name4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1
InChIInChI=1S/C21H17FN6OS/c1-3-29-15-9-6-7-13(22)17(15)18-19(20-23-11-24-26-20)30-21(25-18)16-12(2)27-28-10-5-4-8-14(16)28/h4-11H,3H2,1-2H3,(H,23,24,26)
InChIKeyNJORCUIFTAGSCH-UHFFFAOYSA-N
XLogP4.76
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-6-fluorophenyl)-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-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 58094737) is 4-(2-ethoxy-6-fluorophenyl)-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-ethoxy-6-fluorophenyl)-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-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is CCOc1cccc(F)c1-c1nc(-c2c(C)nn3ccccc23)sc1-c1ncn[nH]1.
What is the InChIKey of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is NJORCUIFTAGSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6OS/c1-3-29-15-9-6-7-13(22)17(15)18-19(20-23-11-24-26-20)30-21(25-18)16-12(2)27-28-10-5-4-8-14(16)28/h4-11H,3H2,1-2H3,(H,23,24,26).
What are the key properties of 4-(2-ethoxy-6-fluorophenyl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-(2-ethoxy-6-fluorophenyl)-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 420.47 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-6-fluorophenyl)-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 58094737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).