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

C11H13N3O2 — CID 19587772

IUPACmethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C11H13N3O2/c1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h5H,1-4H3
InChIKeyXFDJZZSZWMGAQJ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.37
Rot. Bonds1

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

methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (PubChem CID 19587772) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
PubChem CID19587772
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc2c1c(C)nn2C
InChIInChI=1S/C11H13N3O2/c1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h5H,1-4H3
InChIKeyXFDJZZSZWMGAQJ-UHFFFAOYSA-N
XLogP1.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate (CID 19587772) is methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is COC(=O)c1cc(C)nc2c1c(C)nn2C.
What is the InChIKey of methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
The InChIKey is XFDJZZSZWMGAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-5-8(11(15)16-4)9-7(2)13-14(3)10(9)12-6/h5H,1-4H3.
What are the key properties of methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate?
methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate has a molecular weight of 219.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 19587772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).