ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate

C14H11N5O2S — CID 164548277

IUPACethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-n3ncc4cccnc43)sc12
InChIInChI=1S/C14H11N5O2S/c1-2-21-14(20)10-7-16-18-8-11(22-13(10)18)19-12-9(6-17-19)4-3-5-15-12/h3-8H,2H2,1H3
InChIKeyHNKYRLHZMKBXDK-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.31
Rot. Bonds3

About ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate

ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate (PubChem CID 164548277) has the molecular formula C14H11N5O2S and a molecular weight of 313.34 g/mol. Its IUPAC name is ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate
PubChem CID164548277
Molecular FormulaC14H11N5O2S
Molecular Weight313.34 g/mol
Exact Mass313.06
IUPAC Nameethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate
SMILESCCOC(=O)c1cnn2cc(-n3ncc4cccnc43)sc12
InChIInChI=1S/C14H11N5O2S/c1-2-21-14(20)10-7-16-18-8-11(22-13(10)18)19-12-9(6-17-19)4-3-5-15-12/h3-8H,2H2,1H3
InChIKeyHNKYRLHZMKBXDK-UHFFFAOYSA-N
XLogP2.31
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 2-indazol-1-ylpyridine-3-carboxylate
CID 66720157
ethyl 8-chloro-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494367
ethyl 5-chloro-1-pyrimidin-2-ylpyrazole-4-carboxylate
CID 19839439
ethyl 8-tert-butyl-2-methylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494483
ethyl 2-methyl-8-prop-1-en-2-ylimidazo[1,2-b]pyridazine-7-carboxylate
CID 162494475
ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
3-methyl-2-pyrazolo[5,4-b]pyridin-1-ylpyridine-4-carboxamide
CID 126509405
ethyl 1,6-naphthyridine-8-carboxylate
CID 141265974
ethyl 6-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 45073325
ethyl 5-methyl-2-pyrazolo[1,5-a]pyrimidin-3-ylbenzoate
CID 171682366
ethyl 1-(6-fluoroquinolin-7-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610524
ethyl 1-(2-methylimidazo[1,2-a]pyridin-5-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 134610541

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate (CID 164548277) is ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate is CCOC(=O)c1cnn2cc(-n3ncc4cccnc43)sc12.
What is the InChIKey of ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is HNKYRLHZMKBXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O2S/c1-2-21-14(20)10-7-16-18-8-11(22-13(10)18)19-12-9(6-17-19)4-3-5-15-12/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate?
ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 313.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyrazolo[5,4-b]pyridin-1-ylpyrazolo[5,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 164548277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).