4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine

C9H11N3O — CID 53443506

IUPAC4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
SMILESCOc1ccnc2c1c(C)nn2C
InChIInChI=1S/C9H11N3O/c1-6-8-7(13-3)4-5-10-9(8)12(2)11-6/h4-5H,1-3H3
InChIKeyGSPDLVNTOZMGQD-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.29
Rot. Bonds1

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

4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine (PubChem CID 53443506) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
PubChem CID53443506
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine
SMILESCOc1ccnc2c1c(C)nn2C
InChIInChI=1S/C9H11N3O/c1-6-8-7(13-3)4-5-10-9(8)12(2)11-6/h4-5H,1-3H3
InChIKeyGSPDLVNTOZMGQD-UHFFFAOYSA-N
XLogP1.29
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine?
The IUPAC name of 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine (CID 53443506) is 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine is COc1ccnc2c1c(C)nn2C.
What is the InChIKey of 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine?
The InChIKey is GSPDLVNTOZMGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6-8-7(13-3)4-5-10-9(8)12(2)11-6/h4-5H,1-3H3.
What are the key properties of 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine?
4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine has a molecular weight of 177.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,3-dimethylpyrazolo[3,4-b]pyridine is sourced from PubChem (CID 53443506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).