1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine

C10H13N3 — CID 90122617

IUPAC1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2ccc(C)nc21
InChIInChI=1S/C10H13N3/c1-4-13-10-9(8(3)12-13)6-5-7(2)11-10/h5-6H,4H2,1-3H3
InChIKeyLXJDNEQSUIRXKA-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.07
Rot. Bonds1

About 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine

1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 90122617) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
PubChem CID90122617
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine
SMILESCCn1nc(C)c2ccc(C)nc21
InChIInChI=1S/C10H13N3/c1-4-13-10-9(8(3)12-13)6-5-7(2)11-10/h5-6H,4H2,1-3H3
InChIKeyLXJDNEQSUIRXKA-UHFFFAOYSA-N
XLogP2.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine (CID 90122617) is 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine is CCn1nc(C)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is LXJDNEQSUIRXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-13-10-9(8(3)12-13)6-5-7(2)11-10/h5-6H,4H2,1-3H3.
What are the key properties of 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine?
1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 175.23 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 90122617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).