3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine

C15H18BrN3 — CID 166210907

IUPAC3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1(C)C2CN(Cc3nc4ccccn4c3Br)CC21
InChIInChI=1S/C15H18BrN3/c1-15(2)10-7-18(8-11(10)15)9-12-14(16)19-6-4-3-5-13(19)17-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyHUQOCORUUVFHCG-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.18
Rot. Bonds2

About 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine

3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 166210907) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID166210907
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1(C)C2CN(Cc3nc4ccccn4c3Br)CC21
InChIInChI=1S/C15H18BrN3/c1-15(2)10-7-18(8-11(10)15)9-12-14(16)19-6-4-3-5-13(19)17-12/h3-6,10-11H,7-9H2,1-2H3
InChIKeyHUQOCORUUVFHCG-UHFFFAOYSA-N
XLogP3.18
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine (CID 166210907) is 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine is CC1(C)C2CN(Cc3nc4ccccn4c3Br)CC21.
What is the InChIKey of 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is HUQOCORUUVFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-15(2)10-7-18(8-11(10)15)9-12-14(16)19-6-4-3-5-13(19)17-12/h3-6,10-11H,7-9H2,1-2H3.
What are the key properties of 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine?
3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 320.23 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-[(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 166210907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).