3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine

C16H22N4 — CID 133132756

IUPAC3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1CN1C[C@H]2CC[C@@H]1CNC2
InChIInChI=1S/C16H22N4/c1-12-15(20-7-3-2-4-16(20)18-12)11-19-10-13-5-6-14(19)9-17-8-13/h2-4,7,13-14,17H,5-6,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyGKKJCBZTYNPOKB-UONOGXRCSA-N
MW270.38 g/mol
LogP1.83
Rot. Bonds2

About 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine

3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine (PubChem CID 133132756) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine
PubChem CID133132756
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccccn2c1CN1C[C@H]2CC[C@@H]1CNC2
InChIInChI=1S/C16H22N4/c1-12-15(20-7-3-2-4-16(20)18-12)11-19-10-13-5-6-14(19)9-17-8-13/h2-4,7,13-14,17H,5-6,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyGKKJCBZTYNPOKB-UONOGXRCSA-N
XLogP1.83
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine (CID 133132756) is 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine is Cc1nc2ccccn2c1CN1C[C@H]2CC[C@@H]1CNC2.
What is the InChIKey of 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is GKKJCBZTYNPOKB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N4/c1-12-15(20-7-3-2-4-16(20)18-12)11-19-10-13-5-6-14(19)9-17-8-13/h2-4,7,13-14,17H,5-6,8-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine?
3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 270.38 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,5R)-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 133132756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).