2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde

C16H14FN3O — CID 43477821

IUPAC2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(Cc1cccc(F)c1)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H14FN3O/c1-19(10-12-5-4-6-13(17)9-12)16-14(11-21)20-8-3-2-7-15(20)18-16/h2-9,11H,10H2,1H3
InChIKeyCARRDNYDEUGIQF-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.92
Rot. Bonds4

About 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 43477821) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID43477821
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCN(Cc1cccc(F)c1)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H14FN3O/c1-19(10-12-5-4-6-13(17)9-12)16-14(11-21)20-8-3-2-7-15(20)18-16/h2-9,11H,10H2,1H3
InChIKeyCARRDNYDEUGIQF-UHFFFAOYSA-N
XLogP2.92
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
6-[(3-fluorophenyl)methyl-methylamino]-5-methylpyridine-3-carbaldehyde
CID 80638492
2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104552444
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
6-[methyl-[(3-methylphenyl)methyl]amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61411478
2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477763
2-[3,3-dimethylbutan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55010912
3-(bromomethyl)-N-[(3-chlorophenyl)methyl]-N-methylimidazo[1,2-a]pyridin-2-amine
CID 107080940
2-[(2-amino-2-oxoethyl)-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]acetamide
CID 62922613
6-chloro-N-[(3-fluorophenyl)methyl]-N-methyl-3-nitropyridin-2-amine
CID 43330314
6-fluoro-N-[(3-fluorophenyl)methyl]-N-methylpyridin-2-amine
CID 61228402

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 43477821) is 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde is CN(Cc1cccc(F)c1)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is CARRDNYDEUGIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-19(10-12-5-4-6-13(17)9-12)16-14(11-21)20-8-3-2-7-15(20)18-16/h2-9,11H,10H2,1H3.
What are the key properties of 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 283.31 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl-methylamino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 43477821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).