5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine

C13H18FN3 — CID 162725875

IUPAC5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
SMILESCC(C)c1nc2c(cc1F)c(C(C)C)nn2C
InChIInChI=1S/C13H18FN3/c1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11/h6-8H,1-5H3
InChIKeyOXGHSJOLUNIYRJ-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.35
Rot. Bonds2

About 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine

5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine (PubChem CID 162725875) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
PubChem CID162725875
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine
SMILESCC(C)c1nc2c(cc1F)c(C(C)C)nn2C
InChIInChI=1S/C13H18FN3/c1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11/h6-8H,1-5H3
InChIKeyOXGHSJOLUNIYRJ-UHFFFAOYSA-N
XLogP3.35
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine (CID 162725875) is 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine is CC(C)c1nc2c(cc1F)c(C(C)C)nn2C.
What is the InChIKey of 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine?
The InChIKey is OXGHSJOLUNIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-7(2)11-9-6-10(14)12(8(3)4)15-13(9)17(5)16-11/h6-8H,1-5H3.
What are the key properties of 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine?
5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine has a molecular weight of 235.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-3,6-di(propan-2-yl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 162725875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).