5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine

C11H8BrN5O — CID 164610774

IUPAC5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ncc(-c2[nH]nc3ncc(Br)cc23)cn1
InChIInChI=1S/C11H8BrN5O/c1-18-11-14-3-6(4-15-11)9-8-2-7(12)5-13-10(8)17-16-9/h2-5H,1H3,(H,13,16,17)
InChIKeyBKFYMWHZHTVVTA-UHFFFAOYSA-N
MW306.12 g/mol
LogP2.19
Rot. Bonds2

About 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine

5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 164610774) has the molecular formula C11H8BrN5O and a molecular weight of 306.12 g/mol. Its IUPAC name is 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID164610774
Molecular FormulaC11H8BrN5O
Molecular Weight306.12 g/mol
Exact Mass304.99
IUPAC Name5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ncc(-c2[nH]nc3ncc(Br)cc23)cn1
InChIInChI=1S/C11H8BrN5O/c1-18-11-14-3-6(4-15-11)9-8-2-7(12)5-13-10(8)17-16-9/h2-5H,1H3,(H,13,16,17)
InChIKeyBKFYMWHZHTVVTA-UHFFFAOYSA-N
XLogP2.19
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine (CID 164610774) is 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine is COc1ncc(-c2[nH]nc3ncc(Br)cc23)cn1.
What is the InChIKey of 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BKFYMWHZHTVVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN5O/c1-18-11-14-3-6(4-15-11)9-8-2-7(12)5-13-10(8)17-16-9/h2-5H,1H3,(H,13,16,17).
What are the key properties of 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine?
5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 306.12 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methoxypyrimidin-5-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164610774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).