6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde

C40H46N4O8 — CID 135360993

IUPAC6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde
SMILESCc1c(COc2ccc(C=O)c(OCCN3CCOCC3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCCN3CCOCC3)n2)c1C
InChIInChI=1S/C40H46N4O8/c1-29-33(27-51-37-11-9-31(25-45)39(41-37)49-23-17-43-13-19-47-20-14-43)5-3-7-35(29)36-8-4-6-34(30(36)2)28-52-38-12-10-32(26-46)40(42-38)50-24-18-44-15-21-48-22-16-44/h3-12,25-26H,13-24,27-28H2,1-2H3
InChIKeyRDTWVJFYPHISFK-UHFFFAOYSA-N
MW710.83 g/mol
LogP4.97
Rot. Bonds17

About 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde

6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde (PubChem CID 135360993) has the molecular formula C40H46N4O8 and a molecular weight of 710.83 g/mol. Its IUPAC name is 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde
PubChem CID135360993
Molecular FormulaC40H46N4O8
Molecular Weight710.83 g/mol
Exact Mass710.33
IUPAC Name6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde
SMILESCc1c(COc2ccc(C=O)c(OCCN3CCOCC3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCCN3CCOCC3)n2)c1C
InChIInChI=1S/C40H46N4O8/c1-29-33(27-51-37-11-9-31(25-45)39(41-37)49-23-17-43-13-19-47-20-14-43)5-3-7-35(29)36-8-4-6-34(30(36)2)28-52-38-12-10-32(26-46)40(42-38)50-24-18-44-15-21-48-22-16-44/h3-12,25-26H,13-24,27-28H2,1-2H3
InChIKeyRDTWVJFYPHISFK-UHFFFAOYSA-N
XLogP4.97
TPSA121.78 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds17
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.83
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde (CID 135360993) is 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde is Cc1c(COc2ccc(C=O)c(OCCN3CCOCC3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCCN3CCOCC3)n2)c1C.
What is the InChIKey of 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde?
The InChIKey is RDTWVJFYPHISFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46N4O8/c1-29-33(27-51-37-11-9-31(25-45)39(41-37)49-23-17-43-13-19-47-20-14-43)5-3-7-35(29)36-8-4-6-34(30(36)2)28-52-38-12-10-32(26-46)40(42-38)50-24-18-44-15-21-48-22-16-44/h3-12,25-26H,13-24,27-28H2,1-2H3.
What are the key properties of 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde?
6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde has a molecular weight of 710.83 g/mol, XLogP of 4.97, 17 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[3-[[5-formyl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-(2-morpholin-4-ylethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 135360993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).