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

C12H15N3O2 — CID 19585664

IUPACmethyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(C)nc21
InChIInChI=1S/C12H15N3O2/c1-5-15-11-10(8(3)14-15)9(12(16)17-4)6-7(2)13-11/h6H,5H2,1-4H3
InChIKeyWXNSZSKGDWUQOX-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.85
Rot. Bonds2

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

methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 19585664) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID19585664
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCCn1nc(C)c2c(C(=O)OC)cc(C)nc21
InChIInChI=1S/C12H15N3O2/c1-5-15-11-10(8(3)14-15)9(12(16)17-4)6-7(2)13-11/h6H,5H2,1-4H3
InChIKeyWXNSZSKGDWUQOX-UHFFFAOYSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 19585664) is methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate is CCn1nc(C)c2c(C(=O)OC)cc(C)nc21.
What is the InChIKey of methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is WXNSZSKGDWUQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-5-15-11-10(8(3)14-15)9(12(16)17-4)6-7(2)13-11/h6H,5H2,1-4H3.
What are the key properties of methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19585664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).