1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone

C19H23N3O — CID 56870795

IUPAC1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(Cc1cnc2ccccn12)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H23N3O/c23-19(9-15-10-20-18-3-1-2-8-22(15)18)21-11-16-13-4-5-14(7-6-13)17(16)12-21/h1-3,8,10,13-14,16-17H,4-7,9,11-12H2/t13?,14?,16-,17+
InChIKeyQIZJDXUBVDPYAI-KZNFOHLHSA-N
MW309.41 g/mol
LogP2.77
Rot. Bonds2

About 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone

1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 56870795) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID56870795
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone
SMILESO=C(Cc1cnc2ccccn12)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1
InChIInChI=1S/C19H23N3O/c23-19(9-15-10-20-18-3-1-2-8-22(15)18)21-11-16-13-4-5-14(7-6-13)17(16)12-21/h1-3,8,10,13-14,16-17H,4-7,9,11-12H2/t13?,14?,16-,17+
InChIKeyQIZJDXUBVDPYAI-KZNFOHLHSA-N
XLogP2.77
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
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CID 56914609
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
1'-(2-imidazo[1,2-a]pyridin-3-ylacetyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56911511
imidazo[1,2-a]pyridin-3-ylmethanol;hydrochloride
CID 22938849
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CID 128982979
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CID 90571718
3-cyclopentyl-1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 90571732
ethyl 2-[cyclopropyl(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-2-oxoacetate
CID 90569843
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
ethane;4-imidazo[1,2-a]pyridin-3-ylbutan-2-one
CID 145017960
1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone (CID 56870795) is 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone is O=C(Cc1cnc2ccccn12)N1C[C@@H]2C3CCC(CC3)[C@@H]2C1.
What is the InChIKey of 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is QIZJDXUBVDPYAI-KZNFOHLHSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(9-15-10-20-18-3-1-2-8-22(15)18)21-11-16-13-4-5-14(7-6-13)17(16)12-21/h1-3,8,10,13-14,16-17H,4-7,9,11-12H2/t13?,14?,16-,17+.
What are the key properties of 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone?
1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 309.41 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 56870795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).