2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

C16H21N3O — CID 78974146

IUPAC2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)CCN(c1nc2ccccn2c1C=O)C1CC1
InChIInChI=1S/C16H21N3O/c1-12(2)8-10-18(13-6-7-13)16-14(11-20)19-9-4-3-5-15(19)17-16/h3-5,9,11-13H,6-8,10H2,1-2H3
InChIKeyKTNRLSAUCTYCPL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.16
Rot. Bonds6

About 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 78974146) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID78974146
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC(C)CCN(c1nc2ccccn2c1C=O)C1CC1
InChIInChI=1S/C16H21N3O/c1-12(2)8-10-18(13-6-7-13)16-14(11-20)19-9-4-3-5-15(19)17-16/h3-5,9,11-13H,6-8,10H2,1-2H3
InChIKeyKTNRLSAUCTYCPL-UHFFFAOYSA-N
XLogP3.16
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.16
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-[cyclobutylmethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 55126139
2-[2-hydroxyethyl(methyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 60961424
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
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
3-[ethyl-(3-formylimidazo[1,2-a]pyridin-2-yl)amino]-2-methylpropanenitrile
CID 54988824
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 63803907
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-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 78974146) is 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CC(C)CCN(c1nc2ccccn2c1C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is KTNRLSAUCTYCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)8-10-18(13-6-7-13)16-14(11-20)19-9-4-3-5-15(19)17-16/h3-5,9,11-13H,6-8,10H2,1-2H3.
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 271.36 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 78974146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).