methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate

C29H26N2O6 — CID 25231209

IUPACmethyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccncc2)cc(Cc2cc(-c3ccncc3)cc(C(=O)OC)c2OC)c1OC
InChIInChI=1S/C29H26N2O6/c1-34-26-22(13-20(16-24(26)28(32)36-3)18-5-9-30-10-6-18)15-23-14-21(19-7-11-31-12-8-19)17-25(27(23)35-2)29(33)37-4/h5-14,16-17H,15H2,1-4H3
InChIKeyHGAVJEJWRFQGKO-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.99
Rot. Bonds8

About methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate

methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate (PubChem CID 25231209) has the molecular formula C29H26N2O6 and a molecular weight of 498.54 g/mol. Its IUPAC name is methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate
PubChem CID25231209
Molecular FormulaC29H26N2O6
Molecular Weight498.54 g/mol
Exact Mass498.18
IUPAC Namemethyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate
SMILESCOC(=O)c1cc(-c2ccncc2)cc(Cc2cc(-c3ccncc3)cc(C(=O)OC)c2OC)c1OC
InChIInChI=1S/C29H26N2O6/c1-34-26-22(13-20(16-24(26)28(32)36-3)18-5-9-30-10-6-18)15-23-14-21(19-7-11-31-12-8-19)17-25(27(23)35-2)29(33)37-4/h5-14,16-17H,15H2,1-4H3
InChIKeyHGAVJEJWRFQGKO-UHFFFAOYSA-N
XLogP4.99
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate with MolForge

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Related Compounds

methyl 2,4-dipyridin-4-ylbenzoate
CID 46317525
methyl 4-bromo-5-[(2-bromo-3,4-dimethoxy-5-methoxycarbonylphenyl)methyl]-2,3-dimethoxybenzoate
CID 132564114
methyl 2-methoxy-3,5-diphenylbenzoate
CID 142693331
methyl 4-pyridin-4-ylpyridine-2-carboxylate
CID 46317488
methyl 2-amino-6-pyridin-4-yl-1H-benzimidazole-4-carboxylate
CID 66940503
methyl 4-pyridin-4-yl-2-(trifluoromethoxy)benzoate
CID 46317670
methyl 3-ethyl-2-methoxy-5-methylbenzoate
CID 20687255
methyl 3-pyridin-4-ylbenzoate
CID 5152687
dimethyl 2,3-dimethoxybenzene-1,4-dicarboxylate
CID 10682339
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
methyl 2-(piperazine-1-carbonyl)-5-pyridin-4-ylbenzoate
CID 22329728

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate?
The IUPAC name of methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate (CID 25231209) is methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate.
What is the SMILES notation for methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate?
The canonical SMILES for methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate is COC(=O)c1cc(-c2ccncc2)cc(Cc2cc(-c3ccncc3)cc(C(=O)OC)c2OC)c1OC.
What is the InChIKey of methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate?
The InChIKey is HGAVJEJWRFQGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O6/c1-34-26-22(13-20(16-24(26)28(32)36-3)18-5-9-30-10-6-18)15-23-14-21(19-7-11-31-12-8-19)17-25(27(23)35-2)29(33)37-4/h5-14,16-17H,15H2,1-4H3.
What are the key properties of methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate?
methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate has a molecular weight of 498.54 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-3-[(2-methoxy-3-methoxycarbonyl-5-pyridin-4-ylphenyl)methyl]-5-pyridin-4-ylbenzoate is sourced from PubChem (CID 25231209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).