6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde

C20H22N4O4 — CID 175230513

IUPAC6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCOc1ccc(-c2cnc3c(c2)N(CC(=O)N2CCOCC2)C(C=O)N3)cc1
InChIInChI=1S/C20H22N4O4/c1-27-16-4-2-14(3-5-16)15-10-17-20(21-11-15)22-18(13-25)24(17)12-19(26)23-6-8-28-9-7-23/h2-5,10-11,13,18H,6-9,12H2,1H3,(H,21,22)
InChIKeyRIRJYIJTLVKHJW-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.37
Rot. Bonds5

About 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde

6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde (PubChem CID 175230513) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde
PubChem CID175230513
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde
SMILESCOc1ccc(-c2cnc3c(c2)N(CC(=O)N2CCOCC2)C(C=O)N3)cc1
InChIInChI=1S/C20H22N4O4/c1-27-16-4-2-14(3-5-16)15-10-17-20(21-11-15)22-18(13-25)24(17)12-19(26)23-6-8-28-9-7-23/h2-5,10-11,13,18H,6-9,12H2,1H3,(H,21,22)
InChIKeyRIRJYIJTLVKHJW-UHFFFAOYSA-N
XLogP1.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
2-[(2R)-2-(4-methoxyphenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 125007525
[6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrol-2-yl] hydrogen carbonate
CID 69365422
2-[6-bromo-2-(4-methoxyphenyl)-4-phenyl-4H-quinazolin-3-yl]-1-morpholin-4-ylethanone
CID 178090894
2-[6-(4-methoxy-3-pyridinyl)naphthalen-2-yl]oxy-1-morpholin-4-ylethanone
CID 172662683
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18271596
2-[4-(4-methoxyphenyl)-6-methylpyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 3431885
3,3-bis(4-methoxyphenyl)-1-morpholin-4-ylpropan-1-one
CID 110673887
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]sulfanyl]-1-morpholin-4-ylethanone
CID 16644546
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde (CID 175230513) is 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde is COc1ccc(-c2cnc3c(c2)N(CC(=O)N2CCOCC2)C(C=O)N3)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde?
The InChIKey is RIRJYIJTLVKHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-27-16-4-2-14(3-5-16)15-10-17-20(21-11-15)22-18(13-25)24(17)12-19(26)23-6-8-28-9-7-23/h2-5,10-11,13,18H,6-9,12H2,1H3,(H,21,22).
What are the key properties of 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde?
6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde has a molecular weight of 382.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-1-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydroimidazo[4,5-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 175230513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).