9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol

C22H25N3O — CID 171959981

IUPAC9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3nccn3c2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(18-9-10-21-23-11-12-24(21)16-18)13-19-7-4-8-20(14-22)25(19)15-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,19-20,26H,4,7-8,13-15H2
InChIKeyIMBJKNLYKVMHPY-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.74
Rot. Bonds3

About 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol

9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171959981) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171959981
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccc3nccn3c2)CC2CCCC(C1)N2Cc1ccccc1
InChIInChI=1S/C22H25N3O/c26-22(18-9-10-21-23-11-12-24(21)16-18)13-19-7-4-8-20(14-22)25(19)15-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,19-20,26H,4,7-8,13-15H2
InChIKeyIMBJKNLYKVMHPY-UHFFFAOYSA-N
XLogP3.74
TPSA40.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol with MolForge

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Related Compounds

benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-6-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171959973
9-benzyl-3-quinolin-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171956245
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959095
benzyl 3-hydroxy-3-imidazo[1,2-a]pyridin-7-yl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171959909
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
(1R,5S)-8-benzyl-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 13091234
8-benzyl-3-[2-(trifluoromethyl)-4-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171954342
9-benzyl-3-(5-methoxy-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957681
8-benzyl-3-imidazo[1,2-b]pyridazin-3-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959749
9-benzyl-3-cycloheptyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964952
8-benzyl-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171957624
9-benzyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953205

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171959981) is 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2ccc3nccn3c2)CC2CCCC(C1)N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is IMBJKNLYKVMHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(18-9-10-21-23-11-12-24(21)16-18)13-19-7-4-8-20(14-22)25(19)15-17-5-2-1-3-6-17/h1-3,5-6,9-12,16,19-20,26H,4,7-8,13-15H2.
What are the key properties of 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 347.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-imidazo[1,2-a]pyridin-6-yl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171959981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).