2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

C17H22N4O3S — CID 70783191

IUPAC2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cnc3ccccn13)C2
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)19-10-13-5-6-14(12-19)21(11-13)17(22)8-15-9-18-16-4-2-3-7-20(15)16/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3/t13-,14+/m0/s1
InChIKeyNSJAZKWTPZOXNH-UONOGXRCSA-N
MW362.46 g/mol
LogP0.76
Rot. Bonds3

About 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone

2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (PubChem CID 70783191) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.

Molecular Properties

Compound Name2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
PubChem CID70783191
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
SMILESCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cnc3ccccn13)C2
InChIInChI=1S/C17H22N4O3S/c1-25(23,24)19-10-13-5-6-14(12-19)21(11-13)17(22)8-15-9-18-16-4-2-3-7-20(15)16/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3/t13-,14+/m0/s1
InChIKeyNSJAZKWTPZOXNH-UONOGXRCSA-N
XLogP0.76
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-2-ylsulfanylethanone
CID 70787705
1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-4-phenoxybutan-1-one
CID 72849609
1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
CID 56870795
3-[2-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-oxoethyl]quinazolin-4-one
CID 72926465
2-(2,4-difluorophenyl)-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone
CID 70783596
3-benzylsulfanyl-1-[(1S,5S)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]propan-1-one
CID 133129289
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-quinoxalin-6-ylmethanone
CID 72901655
(3-methyl-4-pyrrol-1-ylphenyl)-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methanone
CID 70769975
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-[methyl(methylsulfonyl)amino]acetamide
CID 90569988
[(1R,5R)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-imidazo[1,2-a]pyridin-3-ylmethanone
CID 70739059
(1R,5R)-3-methylsulfonyl-6-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70715281

Frequently Asked Questions

What is the IUPAC name of 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The IUPAC name of 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone (CID 70783191) is 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone.
What is the SMILES notation for 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The canonical SMILES for 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N(C(=O)Cc1cnc3ccccn13)C2.
What is the InChIKey of 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
The InChIKey is NSJAZKWTPZOXNH-UONOGXRCSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-25(23,24)19-10-13-5-6-14(12-19)21(11-13)17(22)8-15-9-18-16-4-2-3-7-20(15)16/h2-4,7,9,13-14H,5-6,8,10-12H2,1H3/t13-,14+/m0/s1.
What are the key properties of 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone?
2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone has a molecular weight of 362.46 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazo[1,2-a]pyridin-3-yl-1-[(1R,5R)-3-methylsulfonyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]ethanone is sourced from PubChem (CID 70783191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).