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

C21H23N5O3S — CID 154690797

IUPAC2-[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
SMILESCCOc1nc(-c2ccn3ncc(-c4c(C)nn(C(C)C)c4C)c3c2)sc1C(=O)O
InChIInChI=1S/C21H23N5O3S/c1-6-29-19-18(21(27)28)30-20(23-19)14-7-8-25-16(9-14)15(10-22-25)17-12(4)24-26(11(2)3)13(17)5/h7-11H,6H2,1-5H3,(H,27,28)
InChIKeyMSCRHZCARFLCRG-UHFFFAOYSA-N
MW425.51 g/mol
LogP4.62
Rot. Bonds6

About 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

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 (PubChem CID 154690797) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID154690797
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name2-[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
SMILESCCOc1nc(-c2ccn3ncc(-c4c(C)nn(C(C)C)c4C)c3c2)sc1C(=O)O
InChIInChI=1S/C21H23N5O3S/c1-6-29-19-18(21(27)28)30-20(23-19)14-7-8-25-16(9-14)15(10-22-25)17-12(4)24-26(11(2)3)13(17)5/h7-11H,6H2,1-5H3,(H,27,28)
InChIKeyMSCRHZCARFLCRG-UHFFFAOYSA-N
XLogP4.62
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
4-methoxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxamide
CID 154690819
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
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
ethyl 1-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 154690934
4-ethoxy-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazole-5-carboxamide
CID 66854651
2-(3-cyano-1-propan-2-ylindol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 46853752
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylic acid
CID 154690847
2-[3-amino-4-(2-ethoxy-2-oxoethyl)sulfanylphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 110823572
ethyl 5-(2-amino-4,6-dimethylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 176643568
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
CID 154690926

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nc(-c2ccn3ncc(-c4c(C)nn(C(C)C)c4C)c3c2)sc1C(=O)O.
What is the InChIKey of 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?
The InChIKey is MSCRHZCARFLCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3S/c1-6-29-19-18(21(27)28)30-20(23-19)14-7-8-25-16(9-14)15(10-22-25)17-12(4)24-26(11(2)3)13(17)5/h7-11H,6H2,1-5H3,(H,27,28).
What are the key properties of 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?
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 has a molecular weight of 425.51 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154690797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).