5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile

C42H32N6O6 — CID 135361569

IUPAC5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile
SMILESCc1c(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)c1C
InChIInChI=1S/C42H32N6O6/c1-27-35(25-51-39-11-9-33(21-49)41(47-39)53-23-31-13-29(15-43)17-45-19-31)5-3-7-37(27)38-8-4-6-36(28(38)2)26-52-40-12-10-34(22-50)42(48-40)54-24-32-14-30(16-44)18-46-20-32/h3-14,17-22H,23-26H2,1-2H3
InChIKeyRZOORWQNPDCYAB-UHFFFAOYSA-N
MW716.75 g/mol
LogP7.23
Rot. Bonds15

About 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile

5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile (PubChem CID 135361569) has the molecular formula C42H32N6O6 and a molecular weight of 716.75 g/mol. Its IUPAC name is 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile
PubChem CID135361569
Molecular FormulaC42H32N6O6
Molecular Weight716.75 g/mol
Exact Mass716.24
IUPAC Name5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile
SMILESCc1c(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)c1C
InChIInChI=1S/C42H32N6O6/c1-27-35(25-51-39-11-9-33(21-49)41(47-39)53-23-31-13-29(15-43)17-45-19-31)5-3-7-37(27)38-8-4-6-36(28(38)2)26-52-40-12-10-34(22-50)42(48-40)54-24-32-14-30(16-44)18-46-20-32/h3-14,17-22H,23-26H2,1-2H3
InChIKeyRZOORWQNPDCYAB-UHFFFAOYSA-N
XLogP7.23
TPSA170.20 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500716.75
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile with MolForge

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Related Compounds

5-[[3-[(2-hydroxyethylamino)methyl]-6-[[3-[3-[[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile
CID 153325925
5-[[4-chloro-5-[[3-[3-(3-chloropropoxy)-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile
CID 129020923
2-[3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]-2-methylphenyl]benzonitrile
CID 174997508
5-[[4-chloro-2-formyl-5-[[3-[3-[(4-formylphenyl)methoxy]-2-methylphenyl]-2-methylphenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile;ethane
CID 142459882
5-[[4-bromo-2-formyl-5-[[2-methyl-3-(2-methyl-3-prop-2-ynoxyphenyl)phenyl]methoxy]phenoxy]methyl]pyridine-3-carbonitrile
CID 168917105
5-[[4-chloro-5-[[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile;5-chloro-4-[[3-[3-[(2-chloro-4-formyl-5-hydroxyphenoxy)methyl]-2-methylphenyl]-2-methylphenyl]methoxy]-2-hydroxybenzaldehyde;5-(chloromethyl)pyridine-3-carbonitrile
CID 161098632
5-[[[4-[3-[3-[[2-chloro-5-[(5-cyano-3-pyridinyl)methoxy]-4-formylphenoxy]methyl]-2-methylphenyl]-2-methylphenyl]phenyl]methylamino]methyl]pyridine-3-carbonitrile
CID 135361777
5-[[4-chloro-5-[(2,3-dimethylphenyl)methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile
CID 139537037
5-[[4-chloro-5-[[3-(2,3-dihydro-1H-indol-4-yl)-2-methylphenyl]methoxy]-2-formylphenoxy]methyl]pyridine-3-carbonitrile
CID 167159945
5-[[5-[[3-(1,3-benzothiazol-6-yl)-2-methylphenyl]methoxy]-4-chloro-2-formylphenoxy]methyl]pyridine-3-carbonitrile
CID 138687404
6-[[3-[2-fluoro-3-[(5-formyl-6-methoxy-2-pyridinyl)oxymethyl]phenyl]-2-methylphenyl]methoxy]-2-methoxypyridine-3-carbaldehyde
CID 135361431
5-[[5-[[3-(1-benzofuran-6-yl)-2-methylphenyl]methoxy]-4-chloro-2-formylphenoxy]methyl]pyridine-3-carbonitrile
CID 138748879

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile (CID 135361569) is 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile is Cc1c(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)cccc1-c1cccc(COc2ccc(C=O)c(OCc3cncc(C#N)c3)n2)c1C.
What is the InChIKey of 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile?
The InChIKey is RZOORWQNPDCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H32N6O6/c1-27-35(25-51-39-11-9-33(21-49)41(47-39)53-23-31-13-29(15-43)17-45-19-31)5-3-7-37(27)38-8-4-6-36(28(38)2)26-52-40-12-10-34(22-50)42(48-40)54-24-32-14-30(16-44)18-46-20-32/h3-14,17-22H,23-26H2,1-2H3.
What are the key properties of 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile?
5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile has a molecular weight of 716.75 g/mol, XLogP of 7.23, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[[3-[3-[[6-[(5-cyano-3-pyridinyl)methoxy]-5-formyl-2-pyridinyl]oxymethyl]-2-methylphenyl]-2-methylphenyl]methoxy]-3-formyl-2-pyridinyl]oxymethyl]pyridine-3-carbonitrile is sourced from PubChem (CID 135361569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).