[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C20H21ClN3O2+ — CID 58023825

IUPAC[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2[nH]c(-c3cccc(Cl)c3)c3cccc[n+]23)CC(C)O1
InChIInChI=1S/C20H20ClN3O2/c1-13-11-23(12-14(2)26-13)20(25)19-22-18(15-6-5-7-16(21)10-15)17-8-3-4-9-24(17)19/h3-10,13-14H,11-12H2,1-2H3/p+1
InChIKeyQITJRWUUPYUHDX-UHFFFAOYSA-O
MW370.86 g/mol
LogP3.32
Rot. Bonds2

About [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 58023825) has the molecular formula C20H21ClN3O2+ and a molecular weight of 370.86 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID58023825
Molecular FormulaC20H21ClN3O2+
Molecular Weight370.86 g/mol
Exact Mass370.13
IUPAC Name[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2[nH]c(-c3cccc(Cl)c3)c3cccc[n+]23)CC(C)O1
InChIInChI=1S/C20H20ClN3O2/c1-13-11-23(12-14(2)26-13)20(25)19-22-18(15-6-5-7-16(21)10-15)17-8-3-4-9-24(17)19/h3-10,13-14H,11-12H2,1-2H3/p+1
InChIKeyQITJRWUUPYUHDX-UHFFFAOYSA-O
XLogP3.32
TPSA49.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone
CID 58023688
1-[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-2-[[(2R)-3,3-dimethylbutan-2-yl]amino]ethanone
CID 58023873
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(2R,6R)-N-(3-chlorophenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 41097571
(6R)-4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]-6-methylmorpholine-2-carboxylic acid
CID 120536293
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(3-chlorophenyl)methanone
CID 102937738
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 30836120
[5-chloro-2-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960487
[5-chloro-2-(methylamino)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 62172046

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 58023825) is [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2[nH]c(-c3cccc(Cl)c3)c3cccc[n+]23)CC(C)O1.
What is the InChIKey of [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is QITJRWUUPYUHDX-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-11-23(12-14(2)26-13)20(25)19-22-18(15-6-5-7-16(21)10-15)17-8-3-4-9-24(17)19/h3-10,13-14H,11-12H2,1-2H3/p+1.
What are the key properties of [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 370.86 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 58023825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).