5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde

C22H22N4O5 — CID 143510706

IUPAC5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde
SMILESCOc1ccc(CN(C)C[C@@]2(c3cc4nc(C)ccc4o3)NC(=O)NC2=O)c(C=O)c1
InChIInChI=1S/C22H22N4O5/c1-13-4-7-18-17(23-13)9-19(31-18)22(20(28)24-21(29)25-22)12-26(2)10-14-5-6-16(30-3)8-15(14)11-27/h4-9,11H,10,12H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyCUFMYFLFMHAVCL-QFIPXVFZSA-N
MW422.44 g/mol
LogP2.12
Rot. Bonds7

About 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde

5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde (PubChem CID 143510706) has the molecular formula C22H22N4O5 and a molecular weight of 422.44 g/mol. Its IUPAC name is 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde
PubChem CID143510706
Molecular FormulaC22H22N4O5
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde
SMILESCOc1ccc(CN(C)C[C@@]2(c3cc4nc(C)ccc4o3)NC(=O)NC2=O)c(C=O)c1
InChIInChI=1S/C22H22N4O5/c1-13-4-7-18-17(23-13)9-19(31-18)22(20(28)24-21(29)25-22)12-26(2)10-14-5-6-16(30-3)8-15(14)11-27/h4-9,11H,10,12H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1
InChIKeyCUFMYFLFMHAVCL-QFIPXVFZSA-N
XLogP2.12
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-[methyl(pyridin-4-yl)amino]furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 70236037
(5S)-5-[(8-fluoro-7-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)methyl]-5-(5-methylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 143989773
(5S)-5-(5-cyclopropylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199982
2-[[[(4R)-4-(4-hydroxyphenyl)-2,5-dioxoimidazolidin-4-yl]methylamino]methyl]-5-methoxybenzaldehyde
CID 143510183
(5S)-5-[5-[(benzylamino)methyl]furo[3,2-b]pyridin-2-yl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione
CID 46199661
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-piperazin-1-ylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 77403584
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(1H-pyrrol-3-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 58054049
(5S)-5-(5-aminofuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
CID 158946537
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxopiperidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 77403598
(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(2-oxo-1,3-diazinan-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 46200761
2-hydroxy-N-[2-[4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-b]pyridin-5-yl]propanamide
CID 77403705
5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(4-methoxy-2-oxopyrrolidin-1-yl)furo[3,2-b]pyridin-2-yl]imidazolidine-2,4-dione
CID 90984578

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde?
The IUPAC name of 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde (CID 143510706) is 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde.
What is the SMILES notation for 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde?
The canonical SMILES for 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde is COc1ccc(CN(C)C[C@@]2(c3cc4nc(C)ccc4o3)NC(=O)NC2=O)c(C=O)c1.
What is the InChIKey of 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde?
The InChIKey is CUFMYFLFMHAVCL-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H22N4O5/c1-13-4-7-18-17(23-13)9-19(31-18)22(20(28)24-21(29)25-22)12-26(2)10-14-5-6-16(30-3)8-15(14)11-27/h4-9,11H,10,12H2,1-3H3,(H2,24,25,28,29)/t22-/m0/s1.
What are the key properties of 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde?
5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde has a molecular weight of 422.44 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[methyl-[[(4S)-4-(5-methylfuro[3,2-b]pyridin-2-yl)-2,5-dioxoimidazolidin-4-yl]methyl]amino]methyl]benzaldehyde is sourced from PubChem (CID 143510706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).