1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C16H18N4O2S — CID 86783540

IUPAC1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C16H18N4O2S/c1-9(2)20-14-12(8-18-20)7-13(10(3)19-14)16(21)22-11(4)15-17-5-6-23-15/h5-9,11H,1-4H3
InChIKeyDAELWWWISUVDTQ-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.70
Rot. Bonds4

About 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 86783540) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID86783540
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)c1nccs1
InChIInChI=1S/C16H18N4O2S/c1-9(2)20-14-12(8-18-20)7-13(10(3)19-14)16(21)22-11(4)15-17-5-6-23-15/h5-9,11H,1-4H3
InChIKeyDAELWWWISUVDTQ-UHFFFAOYSA-N
XLogP3.70
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Related Compounds

propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55473328
1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55459805
(2-bromo-3-pyridinyl) 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 60581866
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
5,6-dimethyl-1-propan-2-ylpyrazolo[5,4-b]pyridine
CID 118215423
azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
N-[1-(4-chlorophenyl)ethyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 17497230
N-(2-methoxy-5-methylphenyl)-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41485518
(4-methoxypiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56810635
[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
CID 96565017
1-(1,3-thiazol-2-yl)ethyl 2-ethyl-5-methylpyrazole-3-carboxylate
CID 71982454
3,4-dimethoxy-5-[(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoic acid
CID 120521352

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 86783540) is 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is Cc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)c1nccs1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is DAELWWWISUVDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-9(2)20-14-12(8-18-20)7-13(10(3)19-14)16(21)22-11(4)15-17-5-6-23-15/h5-9,11H,1-4H3.
What are the key properties of 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 330.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)ethyl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 86783540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).