2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile

C11H12BrN5O — CID 68707362

IUPAC2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile
SMILESCOc1nc2cn(CC(C)(N)C#N)nc2cc1Br
InChIInChI=1S/C11H12BrN5O/c1-11(14,5-13)6-17-4-9-8(16-17)3-7(12)10(15-9)18-2/h3-4H,6,14H2,1-2H3
InChIKeyGZTXOCKSYGAVOM-UHFFFAOYSA-N
MW310.16 g/mol
LogP1.44
Rot. Bonds3

About 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile

2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile (PubChem CID 68707362) has the molecular formula C11H12BrN5O and a molecular weight of 310.16 g/mol. Its IUPAC name is 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile
PubChem CID68707362
Molecular FormulaC11H12BrN5O
Molecular Weight310.16 g/mol
Exact Mass309.02
IUPAC Name2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile
SMILESCOc1nc2cn(CC(C)(N)C#N)nc2cc1Br
InChIInChI=1S/C11H12BrN5O/c1-11(14,5-13)6-17-4-9-8(16-17)3-7(12)10(15-9)18-2/h3-4H,6,14H2,1-2H3
InChIKeyGZTXOCKSYGAVOM-UHFFFAOYSA-N
XLogP1.44
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.16
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile (CID 68707362) is 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile is COc1nc2cn(CC(C)(N)C#N)nc2cc1Br.
What is the InChIKey of 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile?
The InChIKey is GZTXOCKSYGAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O/c1-11(14,5-13)6-17-4-9-8(16-17)3-7(12)10(15-9)18-2/h3-4H,6,14H2,1-2H3.
What are the key properties of 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile?
2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile has a molecular weight of 310.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(6-bromo-5-methoxypyrazolo[4,3-b]pyridin-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 68707362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).