6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine

C15H20BrN5 — CID 79279878

IUPAC6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCN1C2CCCC1CC(n1c(N)nc3cc(Br)cnc31)C2
InChIInChI=1S/C15H20BrN5/c1-20-10-3-2-4-11(20)7-12(6-10)21-14-13(19-15(21)17)5-9(16)8-18-14/h5,8,10-12H,2-4,6-7H2,1H3,(H2,17,19)
InChIKeyABASSQLWXZHRGU-UHFFFAOYSA-N
MW350.26 g/mol
LogP2.96
Rot. Bonds1

About 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine

6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine (PubChem CID 79279878) has the molecular formula C15H20BrN5 and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine
PubChem CID79279878
Molecular FormulaC15H20BrN5
Molecular Weight350.26 g/mol
Exact Mass349.09
IUPAC Name6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine
SMILESCN1C2CCCC1CC(n1c(N)nc3cc(Br)cnc31)C2
InChIInChI=1S/C15H20BrN5/c1-20-10-3-2-4-11(20)7-12(6-10)21-14-13(19-15(21)17)5-9(16)8-18-14/h5,8,10-12H,2-4,6-7H2,1H3,(H2,17,19)
InChIKeyABASSQLWXZHRGU-UHFFFAOYSA-N
XLogP2.96
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine (CID 79279878) is 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine is CN1C2CCCC1CC(n1c(N)nc3cc(Br)cnc31)C2.
What is the InChIKey of 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine?
The InChIKey is ABASSQLWXZHRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN5/c1-20-10-3-2-4-11(20)7-12(6-10)21-14-13(19-15(21)17)5-9(16)8-18-14/h5,8,10-12H,2-4,6-7H2,1H3,(H2,17,19).
What are the key properties of 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine?
6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine has a molecular weight of 350.26 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)imidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79279878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).