2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C12H15N3O2 — CID 104552444

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(CO)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C12H15N3O2/c1-9(7-16)14(2)12-10(8-17)15-6-4-3-5-11(15)13-12/h3-6,8-9,16H,7H2,1-2H3
InChIKeyILOMNXDLLBHGSB-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.96
Rot. Bonds4

About 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 104552444) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID104552444
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(CO)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C12H15N3O2/c1-9(7-16)14(2)12-10(8-17)15-6-4-3-5-11(15)13-12/h3-6,8-9,16H,7H2,1-2H3
InChIKeyILOMNXDLLBHGSB-UHFFFAOYSA-N
XLogP0.96
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 79477989
2-[3,3-dimethylbutan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55010912
2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
2-[[3-(ethylaminomethyl)imidazo[1,2-a]pyridin-2-yl]-methylamino]propan-1-ol
CID 104552885
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
[2-[methyl(pentan-2-yl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43572328
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
CID 54988824
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803177
2-[(2-amino-2-oxoethyl)-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 62922613

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 104552444) is 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CC(CO)N(C)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is ILOMNXDLLBHGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(7-16)14(2)12-10(8-17)15-6-4-3-5-11(15)13-12/h3-6,8-9,16H,7H2,1-2H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 233.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 104552444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).