4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid

C21H21N5O2S — CID 154690971

IUPAC4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCCn1nc(C)c(-c2cnn3ccc(-c4nc(C5CC5)c(C(=O)O)s4)cc23)c1C
InChIInChI=1S/C21H21N5O2S/c1-4-25-12(3)17(11(2)24-25)15-10-22-26-8-7-14(9-16(15)26)20-23-18(13-5-6-13)19(29-20)21(27)28/h7-10,13H,4-6H2,1-3H3,(H,27,28)
InChIKeyRPIHBSXXABHEAF-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.53
Rot. Bonds5

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

4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 154690971) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID154690971
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC Name4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCCn1nc(C)c(-c2cnn3ccc(-c4nc(C5CC5)c(C(=O)O)s4)cc23)c1C
InChIInChI=1S/C21H21N5O2S/c1-4-25-12(3)17(11(2)24-25)15-10-22-26-8-7-14(9-16(15)26)20-23-18(13-5-6-13)19(29-20)21(27)28/h7-10,13H,4-6H2,1-3H3,(H,27,28)
InChIKeyRPIHBSXXABHEAF-UHFFFAOYSA-N
XLogP4.53
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690972
2-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-4-ethoxy-1,3-thiazole-5-carboxylic acid
CID 154690797
4-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 154690819
4-cyclopropyl-2-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82488839
2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690847
ethyl 4-(difluoromethyl)-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
CID 154690936
4-cyclopropyl-2-(3-ethoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98028668
4-cyclopropyl-2-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxylic acid
CID 114360155
4-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 98019165
2-(3-chlorophenyl)-4-cyclopropyl-1,3-thiazole-5-carboxylic acid
CID 98022837
4-cyclopropyl-2-(3,5-difluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 114360248
4-cyclopropyl-2-(2,4,6-trifluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 107920329

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (CID 154690971) is 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-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-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is CCn1nc(C)c(-c2cnn3ccc(-c4nc(C5CC5)c(C(=O)O)s4)cc23)c1C.
What is the InChIKey of 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is RPIHBSXXABHEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-4-25-12(3)17(11(2)24-25)15-10-22-26-8-7-14(9-16(15)26)20-23-18(13-5-6-13)19(29-20)21(27)28/h7-10,13H,4-6H2,1-3H3,(H,27,28).
What are the key properties of 4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 407.50 g/mol, XLogP of 4.53, 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-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154690971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).