5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde

C12H13N3O2 — CID 83894699

IUPAC5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1ncc2cccc(N3CCOCC3)n12
InChIInChI=1S/C12H13N3O2/c16-9-11-13-8-10-2-1-3-12(15(10)11)14-4-6-17-7-5-14/h1-3,8-9H,4-7H2
InChIKeyXZVLURKMRHCGEJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.98
Rot. Bonds2

About 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde

5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 83894699) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde
PubChem CID83894699
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1ncc2cccc(N3CCOCC3)n12
InChIInChI=1S/C12H13N3O2/c16-9-11-13-8-10-2-1-3-12(15(10)11)14-4-6-17-7-5-14/h1-3,8-9H,4-7H2
InChIKeyXZVLURKMRHCGEJ-UHFFFAOYSA-N
XLogP0.98
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5-morpholin-4-ylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 83895231
5-morpholin-4-ylimidazo[1,5-a]pyridin-1-amine
CID 83888210
4-[2-(5-methylimidazo[1,5-a]pyridin-3-yl)ethyl]morpholine
CID 117142372
6-morpholin-4-yl-4,5-dinitrosopyridine-3-carbaldehyde
CID 174667460
5-morpholin-4-yl-2-[(2-pyridin-2-ylcyclopropyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78116695
2-methylsulfanyl-4-morpholin-4-ylpyrimidine-5-carbaldehyde
CID 28905472
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117140967
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carbaldehyde
CID 62967092
4-(1-nitropyrrol-2-yl)morpholine
CID 141110288
4-[2-(5-methoxyimidazo[1,5-a]pyridin-3-yl)ethyl]morpholine
CID 117140664
2-(3-methylphenyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidine-7-carbaldehyde
CID 118243122
3-(morpholin-4-ylmethyl)indolizine-2-carbaldehyde
CID 118572953

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde (CID 83894699) is 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde is O=Cc1ncc2cccc(N3CCOCC3)n12.
What is the InChIKey of 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is XZVLURKMRHCGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-9-11-13-8-10-2-1-3-12(15(10)11)14-4-6-17-7-5-14/h1-3,8-9H,4-7H2.
What are the key properties of 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde?
5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 231.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylimidazo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 83894699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).