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

C19H16N4O3S — CID 154690983

IUPAC4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3nc(C4CC4)c(C(=O)O)s3)cc12
InChIInChI=1S/C19H16N4O3S/c1-9-15(10(2)26-22-9)13-8-20-23-6-5-12(7-14(13)23)18-21-16(11-3-4-11)17(27-18)19(24)25/h5-8,11H,3-4H2,1-2H3,(H,24,25)
InChIKeyVFXXHZHWQXVHHR-UHFFFAOYSA-N
MW380.43 g/mol
LogP4.31
Rot. Bonds4

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

4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 154690983) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-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-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID154690983
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC Name4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid
SMILESCc1noc(C)c1-c1cnn2ccc(-c3nc(C4CC4)c(C(=O)O)s3)cc12
InChIInChI=1S/C19H16N4O3S/c1-9-15(10(2)26-22-9)13-8-20-23-6-5-12(7-14(13)23)18-21-16(11-3-4-11)17(27-18)19(24)25/h5-8,11H,3-4H2,1-2H3,(H,24,25)
InChIKeyVFXXHZHWQXVHHR-UHFFFAOYSA-N
XLogP4.31
TPSA93.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 54.31
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-oxazol-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-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid (CID 154690983) is 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-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-oxazol-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-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is Cc1noc(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-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is VFXXHZHWQXVHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-9-15(10(2)26-22-9)13-8-20-23-6-5-12(7-14(13)23)18-21-16(11-3-4-11)17(27-18)19(24)25/h5-8,11H,3-4H2,1-2H3,(H,24,25).
What are the key properties of 4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 380.43 g/mol, XLogP of 4.31, 4 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-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154690983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).