4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

C21H18F3N5O2S — CID 154690793

IUPAC4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3nc(C4CC4)c(C(=O)O)s3)cc12
InChIInChI=1S/C21H18F3N5O2S/c1-10-16(11(2)29(27-10)9-21(22,23)24)14-8-25-28-6-5-13(7-15(14)28)19-26-17(12-3-4-12)18(32-19)20(30)31/h5-8,12H,3-4,9H2,1-2H3,(H,30,31)
InChIKeyAFYHPYACXMMPOL-UHFFFAOYSA-N
MW461.47 g/mol
LogP5.08
Rot. Bonds5

About 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 154690793) has the molecular formula C21H18F3N5O2S and a molecular weight of 461.47 g/mol. Its IUPAC name is 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID154690793
Molecular FormulaC21H18F3N5O2S
Molecular Weight461.47 g/mol
Exact Mass461.11
IUPAC Name4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3nc(C4CC4)c(C(=O)O)s3)cc12
InChIInChI=1S/C21H18F3N5O2S/c1-10-16(11(2)29(27-10)9-21(22,23)24)14-8-25-28-6-5-13(7-15(14)28)19-26-17(12-3-4-12)18(32-19)20(30)31/h5-8,12H,3-4,9H2,1-2H3,(H,30,31)
InChIKeyAFYHPYACXMMPOL-UHFFFAOYSA-N
XLogP5.08
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (CID 154690793) is 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is Cc1nn(CC(F)(F)F)c(C)c1-c1cnn2ccc(-c3nc(C4CC4)c(C(=O)O)s3)cc12.
What is the InChIKey of 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is AFYHPYACXMMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2S/c1-10-16(11(2)29(27-10)9-21(22,23)24)14-8-25-28-6-5-13(7-15(14)28)19-26-17(12-3-4-12)18(32-19)20(30)31/h5-8,12H,3-4,9H2,1-2H3,(H,30,31).
What are the key properties of 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 461.47 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154690793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).