ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

C12H15N3O2 — CID 47154040

IUPACethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C12H15N3O2/c1-5-17-12(16)9-6-7(2)13-11-10(9)8(3)14-15(11)4/h6H,5H2,1-4H3
InChIKeyVDBCZPAYIWDWJK-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.76
Rot. Bonds2

About ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate

ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 47154040) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID47154040
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Nameethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C12H15N3O2/c1-5-17-12(16)9-6-7(2)13-11-10(9)8(3)14-15(11)4/h6H,5H2,1-4H3
InChIKeyVDBCZPAYIWDWJK-UHFFFAOYSA-N
XLogP1.76
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 47154040) is ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is CCOC(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is VDBCZPAYIWDWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-5-17-12(16)9-6-7(2)13-11-10(9)8(3)14-15(11)4/h6H,5H2,1-4H3.
What are the key properties of ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 47154040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).