1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine

C17H19N3 — CID 17308016

IUPAC1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(-c3ccc(C)c(C)c3)c2n1
InChIInChI=1S/C17H19N3/c1-10-6-7-15(9-11(10)2)20-17-16(14(5)19-20)12(3)8-13(4)18-17/h6-9H,1-5H3
InChIKeyZXGOXDFQFIFMMV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.96
Rot. Bonds1

About 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine

1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine (PubChem CID 17308016) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
PubChem CID17308016
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine
SMILESCc1cc(C)c2c(C)nn(-c3ccc(C)c(C)c3)c2n1
InChIInChI=1S/C17H19N3/c1-10-6-7-15(9-11(10)2)20-17-16(14(5)19-20)12(3)8-13(4)18-17/h6-9H,1-5H3
InChIKeyZXGOXDFQFIFMMV-UHFFFAOYSA-N
XLogP3.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine (CID 17308016) is 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine is Cc1cc(C)c2c(C)nn(-c3ccc(C)c(C)c3)c2n1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
The InChIKey is ZXGOXDFQFIFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-10-6-7-15(9-11(10)2)20-17-16(14(5)19-20)12(3)8-13(4)18-17/h6-9H,1-5H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine?
1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine has a molecular weight of 265.36 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3,4,6-trimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 17308016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).