2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

C14H17N3O3 — CID 102933312

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1CN(c2nc3ccccn3c2C=O)CC(CO)O1
InChIInChI=1S/C14H17N3O3/c1-10-6-16(7-11(8-18)20-10)14-12(9-19)17-5-3-2-4-13(17)15-14/h2-5,9-11,18H,6-8H2,1H3
InChIKeyGUXGUWSXFJWQQW-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.73
Rot. Bonds3

About 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde

2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (PubChem CID 102933312) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
PubChem CID102933312
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
SMILESCC1CN(c2nc3ccccn3c2C=O)CC(CO)O1
InChIInChI=1S/C14H17N3O3/c1-10-6-16(7-11(8-18)20-10)14-12(9-19)17-5-3-2-4-13(17)15-14/h2-5,9-11,18H,6-8H2,1H3
InChIKeyGUXGUWSXFJWQQW-UHFFFAOYSA-N
XLogP0.73
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-hydroxyethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106836344
2-(3-methoxypyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 103534998
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
2-(4-tert-butylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62090737
2-[3-(methoxymethyl)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 106587506
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 102933302
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463527
6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 30063187
2-(3,4-dihydro-1H-isoquinolin-2-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43477784
2-(3,5-dimethyl-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 61346910
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde (CID 102933312) is 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is CC1CN(c2nc3ccccn3c2C=O)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
The InChIKey is GUXGUWSXFJWQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-10-6-16(7-11(8-18)20-10)14-12(9-19)17-5-3-2-4-13(17)15-14/h2-5,9-11,18H,6-8H2,1H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde?
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde has a molecular weight of 275.31 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]imidazo[1,2-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 102933312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).