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

C19H22N4O2+2 — CID 58023688

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone
SMILESCC1CN(C(=O)c2[nH]c(-c3cc[nH+]cc3)c3cccc[n+]23)CC(C)O1
InChIInChI=1S/C19H20N4O2/c1-13-11-22(12-14(2)25-13)19(24)18-21-17(15-6-8-20-9-7-15)16-5-3-4-10-23(16)18/h3-10,13-14H,11-12H2,1-2H3/p+2
InChIKeyMRCHHMFBXFRLAF-UHFFFAOYSA-P
MW338.41 g/mol
LogP1.48
Rot. Bonds2

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

(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone (PubChem CID 58023688) has the molecular formula C19H22N4O2+2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone
PubChem CID58023688
Molecular FormulaC19H22N4O2+2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone
SMILESCC1CN(C(=O)c2[nH]c(-c3cc[nH+]cc3)c3cccc[n+]23)CC(C)O1
InChIInChI=1S/C19H20N4O2/c1-13-11-22(12-14(2)25-13)19(24)18-21-17(15-6-8-20-9-7-15)16-5-3-4-10-23(16)18/h3-10,13-14H,11-12H2,1-2H3/p+2
InChIKeyMRCHHMFBXFRLAF-UHFFFAOYSA-P
XLogP1.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.48
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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Launch Full Analysis

Related Compounds

[1-(3-chlorophenyl)-2H-imidazo[1,5-a]pyridin-4-ium-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 58023825
[2-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 23968528
(2-chlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3516702
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2-fluoro-3-methylphenyl)methanone
CID 103933005
(2,6-dimethylmorpholin-4-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 4905053
6-(2,6-dimethylmorpholine-4-carbonyl)-1,4-dihydroquinoxaline-2,3-dione
CID 23474515
3-(4-fluoropiperidine-1-carbonyl)-N-(2,2,2-trifluoro-1-pyridin-1-ium-2-ylethyl)-2H-imidazo[1,5-a]pyridin-4-ium-1-carboxamide
CID 58023789
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methanone
CID 95741069
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propan-1-one
CID 51488484

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone (CID 58023688) is (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone is CC1CN(C(=O)c2[nH]c(-c3cc[nH+]cc3)c3cccc[n+]23)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone?
The InChIKey is MRCHHMFBXFRLAF-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H20N4O2/c1-13-11-22(12-14(2)25-13)19(24)18-21-17(15-6-8-20-9-7-15)16-5-3-4-10-23(16)18/h3-10,13-14H,11-12H2,1-2H3/p+2.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone has a molecular weight of 338.41 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1-pyridin-1-ium-4-yl-2H-imidazo[1,5-a]pyridin-4-ium-3-yl)methanone is sourced from PubChem (CID 58023688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).