4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde

C19H22N4O2 — CID 174728537

IUPAC4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
SMILESO=CC1c2c(N3CCOCC3)ccnc2CN1CCc1ccccn1
InChIInChI=1S/C19H22N4O2/c24-14-18-19-16(13-23(18)8-5-15-3-1-2-6-20-15)21-7-4-17(19)22-9-11-25-12-10-22/h1-4,6-7,14,18H,5,8-13H2
InChIKeyFKNKGVSHIUFQDB-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.61
Rot. Bonds5

About 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde

4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde (PubChem CID 174728537) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
PubChem CID174728537
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde
SMILESO=CC1c2c(N3CCOCC3)ccnc2CN1CCc1ccccn1
InChIInChI=1S/C19H22N4O2/c24-14-18-19-16(13-23(18)8-5-15-3-1-2-6-20-15)21-7-4-17(19)22-9-11-25-12-10-22/h1-4,6-7,14,18H,5,8-13H2
InChIKeyFKNKGVSHIUFQDB-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-pyridin-2-ylethyl)piperidine-2-carbaldehyde
CID 62656596
4-[6-(2-imidazo[1,2-a]pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-4-yl]morpholine
CID 141362088
4-[6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 171326602
(3S)-2-(2-pyridin-2-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104896004
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 60649527
(2-morpholin-4-ylphenyl)-(pyridin-2-ylmethyl)diazene
CID 91611614
(3R)-3-(2-phenyl-1,2,4-triazol-3-yl)-4-(2-pyridin-2-ylethyl)morpholine
CID 125142323
2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39897733
4-[4-methyl-6-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 171326637
4-[2-methylidene-6-(2-pyridin-2-ylethoxy)-5H-pyrimidin-4-yl]morpholine
CID 123539004
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde (CID 174728537) is 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde is O=CC1c2c(N3CCOCC3)ccnc2CN1CCc1ccccn1.
What is the InChIKey of 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?
The InChIKey is FKNKGVSHIUFQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-14-18-19-16(13-23(18)8-5-15-3-1-2-6-20-15)21-7-4-17(19)22-9-11-25-12-10-22/h1-4,6-7,14,18H,5,8-13H2.
What are the key properties of 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde?
4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde has a molecular weight of 338.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-(2-pyridin-2-ylethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 174728537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).