ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate

C15H12F3N3O3S — CID 154690926

IUPACethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3nccc3c2)nc1OCC(F)(F)F
InChIInChI=1S/C15H12F3N3O3S/c1-2-23-14(22)11-12(24-8-15(16,17)18)20-13(25-11)9-4-6-21-10(7-9)3-5-19-21/h3-7H,2,8H2,1H3
InChIKeyPFZXNJOTDYTTPR-UHFFFAOYSA-N
MW371.34 g/mol
LogP3.58
Rot. Bonds5

About ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate

ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate (PubChem CID 154690926) has the molecular formula C15H12F3N3O3S and a molecular weight of 371.34 g/mol. Its IUPAC name is ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
PubChem CID154690926
Molecular FormulaC15H12F3N3O3S
Molecular Weight371.34 g/mol
Exact Mass371.06
IUPAC Nameethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(-c2ccn3nccc3c2)nc1OCC(F)(F)F
InChIInChI=1S/C15H12F3N3O3S/c1-2-23-14(22)11-12(24-8-15(16,17)18)20-13(25-11)9-4-6-21-10(7-9)3-5-19-21/h3-7H,2,8H2,1H3
InChIKeyPFZXNJOTDYTTPR-UHFFFAOYSA-N
XLogP3.58
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 4-(2-oxopropoxy)-2-phenyl-1,3-thiazole-5-carboxylate
CID 20855145
ethyl 4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylate
CID 58934113
ethyl 2-phenyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate;2-methyl-1,3-dioxolane
CID 90795014
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 2-(3-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 50997801
ethyl 2-(2-chlorophenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 96536531
ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate
CID 171350116
ethyl 2-(3-aminophenyl)-4-ethyl-1,3-thiazole-5-carboxylate
CID 104840726
ethyl 2-(3-cyano-1H-indol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 68753632
ethyl 6-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 87426687
ethyl 5-[[5-bromo-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 176912920
ethyl 2-[3-cyano-4-(3-methylbutoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 141182653

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate (CID 154690926) is ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(-c2ccn3nccc3c2)nc1OCC(F)(F)F.
What is the InChIKey of ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate?
The InChIKey is PFZXNJOTDYTTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O3S/c1-2-23-14(22)11-12(24-8-15(16,17)18)20-13(25-11)9-4-6-21-10(7-9)3-5-19-21/h3-7H,2,8H2,1H3.
What are the key properties of ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate?
ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate has a molecular weight of 371.34 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrazolo[1,5-a]pyridin-5-yl-4-(2,2,2-trifluoroethoxy)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 154690926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).