2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

C20H13F3N6S — CID 46865406

IUPAC2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2C(F)(F)F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H13F3N6S/c1-11-15(14-8-4-5-9-29(14)28-11)19-26-16(17(30-19)18-24-10-25-27-18)12-6-2-3-7-13(12)20(21,22)23/h2-10H,1H3,(H,24,25,27)
InChIKeyHYQLGRSYOZCSSF-UHFFFAOYSA-N
MW426.43 g/mol
LogP5.24
Rot. Bonds3

About 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole

2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (PubChem CID 46865406) has the molecular formula C20H13F3N6S and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
PubChem CID46865406
Molecular FormulaC20H13F3N6S
Molecular Weight426.43 g/mol
Exact Mass426.09
IUPAC Name2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole
SMILESCc1nn2ccccc2c1-c1nc(-c2ccccc2C(F)(F)F)c(-c2ncn[nH]2)s1
InChIInChI=1S/C20H13F3N6S/c1-11-15(14-8-4-5-9-29(14)28-11)19-26-16(17(30-19)18-24-10-25-27-18)12-6-2-3-7-13(12)20(21,22)23/h2-10H,1H3,(H,24,25,27)
InChIKeyHYQLGRSYOZCSSF-UHFFFAOYSA-N
XLogP5.24
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The IUPAC name of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole (CID 46865406) is 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccccc2C(F)(F)F)c(-c2ncn[nH]2)s1.
What is the InChIKey of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
The InChIKey is HYQLGRSYOZCSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N6S/c1-11-15(14-8-4-5-9-29(14)28-11)19-26-16(17(30-19)18-24-10-25-27-18)12-6-2-3-7-13(12)20(21,22)23/h2-10H,1H3,(H,24,25,27).
What are the key properties of 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole?
2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole has a molecular weight of 426.43 g/mol, XLogP of 5.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-4-[2-(trifluoromethyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 46865406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).