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

C14H17N3O2 — CID 82739551

IUPAC2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1OCCC1N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H17N3O2/c1-10-11(6-8-19-10)16(2)14-12(9-18)17-7-4-3-5-13(17)15-14/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeySTSPBEQQVKQLKQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.76
Rot. Bonds3

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

2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 82739551) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID82739551
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1OCCC1N(C)c1nc2ccccn2c1C=O
InChIInChI=1S/C14H17N3O2/c1-10-11(6-8-19-10)16(2)14-12(9-18)17-7-4-3-5-13(17)15-14/h3-5,7,9-11H,6,8H2,1-2H3
InChIKeySTSPBEQQVKQLKQ-UHFFFAOYSA-N
XLogP1.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.76
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-[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-[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-[cyclopropyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 78974146
(E)-3-[2-[cyclopentyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 43477940
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
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-[bis(prop-2-enyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477763
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 79477989
2-[butyl(ethyl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477782

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 82739551) is 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is CC1OCCC1N(C)c1nc2ccccn2c1C=O.
What is the InChIKey of 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is STSPBEQQVKQLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-11(6-8-19-10)16(2)14-12(9-18)17-7-4-3-5-13(17)15-14/h3-5,7,9-11H,6,8H2,1-2H3.
What are the key properties of 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 259.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-methyloxolan-3-yl)amino]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 82739551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).