4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate

C23H15N2O5S- — CID 59143960

IUPAC4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
SMILESCOc1cc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)ccc1C(=O)[O-]
InChIInChI=1S/C23H16N2O5S/c1-28-20-9-14(4-5-16(20)23(26)27)12-30-22-18(11-24)17(15-6-7-29-13-15)10-19(25-22)21-3-2-8-31-21/h2-10,13H,12H2,1H3,(H,26,27)/p-1
InChIKeyIHAGCBCBARFQBY-UHFFFAOYSA-M
MW431.45 g/mol
LogP3.89
Rot. Bonds7

About 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate

4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate (PubChem CID 59143960) has the molecular formula C23H15N2O5S- and a molecular weight of 431.45 g/mol. Its IUPAC name is 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate.

Molecular Properties

Compound Name4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
PubChem CID59143960
Molecular FormulaC23H15N2O5S-
Molecular Weight431.45 g/mol
Exact Mass431.07
IUPAC Name4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
SMILESCOc1cc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)ccc1C(=O)[O-]
InChIInChI=1S/C23H16N2O5S/c1-28-20-9-14(4-5-16(20)23(26)27)12-30-22-18(11-24)17(15-6-7-29-13-15)10-19(25-22)21-3-2-8-31-21/h2-10,13H,12H2,1H3,(H,26,27)/p-1
InChIKeyIHAGCBCBARFQBY-UHFFFAOYSA-M
XLogP3.89
TPSA108.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
CID 71159216
disodium;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoate;4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-N-(2,3-dihydro-1H-tetrazol-5-yl)benzenecarboximidate
CID 158215459
sodium 4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]benzoate
CID 169428089
4-[[3-cyano-4-(furan-3-yl)-6-(3-methoxyphenyl)-2-pyridinyl]oxymethyl]benzoic acid
CID 57490641
4-[[4-(furan-3-yl)-3-[(methylideneamino)methyl]-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568629
sodium 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]benzoate
CID 169428580
3-[[4-(furan-3-yl)-3-(methyliminomethyl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568664
4-[4-(3-cyano-2-methoxy-6-thiophen-2-yl-4-pyridinyl)phenyl]-2-methoxy-6-thiophen-2-ylpyridine-3-carbonitrile
CID 14950544
5-[[6-(5-chlorothiophen-2-yl)-3-cyano-4-(furan-3-yl)-2-pyridinyl]oxymethyl]furan-2-carboxylic acid
CID 24863492
dimethyl 5-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 57490806
(Z)-[amino-[4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]phenyl]methylidene]-hydrazinylazanium
CID 143568688
sodium 4-(furan-3-yl)-6-thiophen-2-yl-2-[[4-(1,2,4-triaza-3-azanidacyclopent-4-en-5-yl)phenyl]methylamino]pyridine-3-carbonitrile
CID 159738019

Frequently Asked Questions

What is the IUPAC name of 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The IUPAC name of 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate (CID 59143960) is 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate.
What is the SMILES notation for 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The canonical SMILES for 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate is COc1cc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2C#N)ccc1C(=O)[O-].
What is the InChIKey of 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The InChIKey is IHAGCBCBARFQBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H16N2O5S/c1-28-20-9-14(4-5-16(20)23(26)27)12-30-22-18(11-24)17(15-6-7-29-13-15)10-19(25-22)21-3-2-8-31-21/h2-10,13H,12H2,1H3,(H,26,27)/p-1.
What are the key properties of 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate has a molecular weight of 431.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate is sourced from PubChem (CID 59143960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).