methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C11H13N3O3 — CID 2736871

IUPACmethyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c(C)nn2C)c1OC
InChIInChI=1S/C11H13N3O3/c1-6-8-9(16-3)7(11(15)17-4)5-12-10(8)14(2)13-6/h5H,1-4H3
InChIKeyDLYCSEPLRFHSOD-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.07
Rot. Bonds2

About methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 2736871) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID2736871
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Namemethyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCOC(=O)c1cnc2c(c(C)nn2C)c1OC
InChIInChI=1S/C11H13N3O3/c1-6-8-9(16-3)7(11(15)17-4)5-12-10(8)14(2)13-6/h5H,1-4H3
InChIKeyDLYCSEPLRFHSOD-UHFFFAOYSA-N
XLogP1.07
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 2736871) is methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is COC(=O)c1cnc2c(c(C)nn2C)c1OC.
What is the InChIKey of methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is DLYCSEPLRFHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-8-9(16-3)7(11(15)17-4)5-12-10(8)14(2)13-6/h5H,1-4H3.
What are the key properties of methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2736871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).