5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

C36H36N2O6 — CID 135360886

IUPAC5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C4CC4)c3C)c2C)c(C2CC2)cc1C=O
InChIInChI=1S/C36H36N2O6/c1-21-25(19-43-35-31(23-11-12-23)15-27(17-39)33(37-35)41-3)7-5-9-29(21)30-10-6-8-26(22(30)2)20-44-36-32(24-13-14-24)16-28(18-40)34(38-36)42-4/h5-10,15-18,23-24H,11-14,19-20H2,1-4H3
InChIKeyYJFHKLCSEBKNKP-UHFFFAOYSA-N
MW592.69 g/mol
LogP7.32
Rot. Bonds13

About 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde

5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (PubChem CID 135360886) has the molecular formula C36H36N2O6 and a molecular weight of 592.69 g/mol. Its IUPAC name is 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
PubChem CID135360886
Molecular FormulaC36H36N2O6
Molecular Weight592.69 g/mol
Exact Mass592.26
IUPAC Name5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
SMILESCOc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C4CC4)c3C)c2C)c(C2CC2)cc1C=O
InChIInChI=1S/C36H36N2O6/c1-21-25(19-43-35-31(23-11-12-23)15-27(17-39)33(37-35)41-3)7-5-9-29(21)30-10-6-8-26(22(30)2)20-44-36-32(24-13-14-24)16-28(18-40)34(38-36)42-4/h5-10,15-18,23-24H,11-14,19-20H2,1-4H3
InChIKeyYJFHKLCSEBKNKP-UHFFFAOYSA-N
XLogP7.32
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.69
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-Methoxy-6-((2-methyl-[1,1'-biphenyl]-3-YL)methoxy)nicotinaldehyde
CID 117941962
6-[[(1R,2R)-2-fluoro-4-[(1R,2R)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360851
6-[[(1R,2S)-2-fluoro-4-[(1R,2S)-2-fluoro-1-[(5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135361085
6-[[3-[3-[[5-Formyl-6-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde
CID 135361349
6-[[3-[2-Fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
2,6-Dimethoxy-5-phenylpyridine-3-carbaldehyde
CID 88913395
6-[[3-[3-[(5-formyl-6-oxo-1H-pyridin-2-yl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 134240556
2-[(5-Formyl-6-methoxy-2-pyridinyl)oxymethyl]-6-[3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]benzonitrile
CID 134240614
6-[[3-[3-[(5-Formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 134305058
6-[[3-[3-[(5,6-Dimethoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 134309887
5-Chloro-6-[[3-[3-[(3-chloro-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135360706
5-bromo-6-[[(1S)-4-[(1S)-1-[(3-bromo-5-formyl-6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-4-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-methoxypyridine-3-carbaldehyde
CID 135360864

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The IUPAC name of 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde (CID 135360886) is 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is COc1nc(OCc2cccc(-c3cccc(COc4nc(OC)c(C=O)cc4C4CC4)c3C)c2C)c(C2CC2)cc1C=O.
What is the InChIKey of 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
The InChIKey is YJFHKLCSEBKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O6/c1-21-25(19-43-35-31(23-11-12-23)15-27(17-39)33(37-35)41-3)7-5-9-29(21)30-10-6-8-26(22(30)2)20-44-36-32(24-13-14-24)16-28(18-40)34(38-36)42-4/h5-10,15-18,23-24H,11-14,19-20H2,1-4H3.
What are the key properties of 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde?
5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde has a molecular weight of 592.69 g/mol, XLogP of 7.32, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-[[3-[3-[(3-cyclopropyl-5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde is sourced from PubChem (CID 135360886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).