methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate

C17H14N4O3S — CID 154690791

IUPACmethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)s1
InChIInChI=1S/C17H14N4O3S/c1-9-15(10(2)24-20-9)12-7-19-21-5-4-11(6-13(12)21)16-18-8-14(25-16)17(22)23-3/h4-8H,1-3H3
InChIKeyFXZNCDJMCZLDDA-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.52
Rot. Bonds3

About methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate

methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (PubChem CID 154690791) has the molecular formula C17H14N4O3S and a molecular weight of 354.39 g/mol. Its IUPAC name is methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
PubChem CID154690791
Molecular FormulaC17H14N4O3S
Molecular Weight354.39 g/mol
Exact Mass354.08
IUPAC Namemethyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)s1
InChIInChI=1S/C17H14N4O3S/c1-9-15(10(2)24-20-9)12-7-19-21-5-4-11(6-13(12)21)16-18-8-14(25-16)17(22)23-3/h4-8H,1-3H3
InChIKeyFXZNCDJMCZLDDA-UHFFFAOYSA-N
XLogP3.52
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate (CID 154690791) is methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(-c2ccn3ncc(-c4c(C)noc4C)c3c2)s1.
What is the InChIKey of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
The InChIKey is FXZNCDJMCZLDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3S/c1-9-15(10(2)24-20-9)12-7-19-21-5-4-11(6-13(12)21)16-18-8-14(25-16)17(22)23-3/h4-8H,1-3H3.
What are the key properties of methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate?
methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate has a molecular weight of 354.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154690791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).