[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C17H22N4O — CID 90649726

IUPAC[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCN(C)C1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3nccn3c1)C2
InChIInChI=1S/C17H22N4O/c1-19(2)16-12-3-4-13(16)10-21(9-12)17(22)14-5-6-15-18-7-8-20(15)11-14/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t12-,13+,16?
InChIKeyINBKPMLYZHHBFW-OCZCAGDBSA-N
MW298.39 g/mol
LogP1.75
Rot. Bonds2

About [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 90649726) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID90649726
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCN(C)C1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3nccn3c1)C2
InChIInChI=1S/C17H22N4O/c1-19(2)16-12-3-4-13(16)10-21(9-12)17(22)14-5-6-15-18-7-8-20(15)11-14/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t12-,13+,16?
InChIKeyINBKPMLYZHHBFW-OCZCAGDBSA-N
XLogP1.75
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl(imidazo[1,2-a]pyridin-6-yl)methanone
CID 110704027
[4-(cyclopropylmethylamino)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119622933
imidazo[1,2-a]pyridin-6-yl-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124612790
N-[[1-(imidazo[1,2-a]pyridine-6-carbonyl)piperidin-4-yl]methyl]-N,1-dimethylpiperidine-4-carboxamide
CID 167909355
(3R)-1-(imidazo[1,2-a]pyridine-6-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 129397514
imidazo[1,2-a]pyridin-6-yl-[3-methyl-3-(2,2,2-trifluoroethyl)azetidin-1-yl]methanone
CID 122152246
imidazo[1,2-a]pyridin-6-yl-[(5S)-5-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164695279
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318
[4-(3-aminopropoxy)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 119662618
[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 56508512
[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-[4-(3-fluorophenyl)phenyl]methanone
CID 77094256

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 90649726) is [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is CN(C)C1[C@@H]2CC[C@H]1CN(C(=O)c1ccc3nccn3c1)C2.
What is the InChIKey of [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is INBKPMLYZHHBFW-OCZCAGDBSA-N. The full InChI is InChI=1S/C17H22N4O/c1-19(2)16-12-3-4-13(16)10-21(9-12)17(22)14-5-6-15-18-7-8-20(15)11-14/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t12-,13+,16?.
What are the key properties of [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-8-(dimethylamino)-3-azabicyclo[3.2.1]octan-3-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 90649726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).