5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine

C15H18BrN3O2 — CID 155444094

IUPAC5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine
SMILESBrc1cc2cn(CC3CCOC3)nc2nc1OC1CCC1
InChIInChI=1S/C15H18BrN3O2/c16-13-6-11-8-19(7-10-4-5-20-9-10)18-14(11)17-15(13)21-12-2-1-3-12/h6,8,10,12H,1-5,7,9H2
InChIKeyHZSUWDWPMJLDCA-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.16
Rot. Bonds4

About 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine

5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine (PubChem CID 155444094) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine
PubChem CID155444094
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine
SMILESBrc1cc2cn(CC3CCOC3)nc2nc1OC1CCC1
InChIInChI=1S/C15H18BrN3O2/c16-13-6-11-8-19(7-10-4-5-20-9-10)18-14(11)17-15(13)21-12-2-1-3-12/h6,8,10,12H,1-5,7,9H2
InChIKeyHZSUWDWPMJLDCA-UHFFFAOYSA-N
XLogP3.16
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine (CID 155444094) is 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine is Brc1cc2cn(CC3CCOC3)nc2nc1OC1CCC1.
What is the InChIKey of 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is HZSUWDWPMJLDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c16-13-6-11-8-19(7-10-4-5-20-9-10)18-14(11)17-15(13)21-12-2-1-3-12/h6,8,10,12H,1-5,7,9H2.
What are the key properties of 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine?
5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 352.23 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclobutyloxy-2-(oxolan-3-ylmethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 155444094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).