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

C16H17N3OS — CID 79477989

IUPAC2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(Cc1cccs1)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H17N3OS/c1-12(10-13-6-5-9-21-13)18(2)16-14(11-20)19-8-4-3-7-15(19)17-16/h3-9,11-12H,10H2,1-2H3
InChIKeySPNDLZRKALNYEP-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.28
Rot. Bonds5

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

2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 79477989) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID79477989
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(Cc1cccs1)N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C16H17N3OS/c1-12(10-13-6-5-9-21-13)18(2)16-14(11-20)19-8-4-3-7-15(19)17-16/h3-9,11-12H,10H2,1-2H3
InChIKeySPNDLZRKALNYEP-UHFFFAOYSA-N
XLogP3.28
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.28
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

2-[1-hydroxypropan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 104552444
2-[3,3-dimethylbutan-2-yl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55010912
2-[methyl(2-methylbutan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 63983643
2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
2-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-(dibutylamino)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477823
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
CID 54988824
[6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[2,1-b][1,3]thiazol-5-yl]methanol
CID 79486099
3-chloro-N,5,6-trimethyl-N-(1-thiophen-2-ylpropan-2-yl)pyrazin-2-amine
CID 79488274
5-[methyl(1-thiophen-2-ylpropan-2-yl)amino]furan-2-carbaldehyde
CID 79475732
2-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477763
2-propan-2-ylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 76849577

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 79477989) is 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CC(Cc1cccs1)N(C)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is SPNDLZRKALNYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12(10-13-6-5-9-21-13)18(2)16-14(11-20)19-8-4-3-7-15(19)17-16/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 299.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 79477989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).