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

C23H20N2O5S — CID 71159216

IUPACmethyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1OC
InChIInChI=1S/C23H20N2O5S/c1-27-19-10-14(5-6-16(19)23(26)28-2)12-30-22-21(24)17(15-7-8-29-13-15)11-18(25-22)20-4-3-9-31-20/h3-11,13H,12,24H2,1-2H3
InChIKeyJHANSCPDNFLODR-UHFFFAOYSA-N
MW436.49 g/mol
LogP5.03
Rot. Bonds7

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

methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate (PubChem CID 71159216) has the molecular formula C23H20N2O5S and a molecular weight of 436.49 g/mol. Its IUPAC name is methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
PubChem CID71159216
Molecular FormulaC23H20N2O5S
Molecular Weight436.49 g/mol
Exact Mass436.11
IUPAC Namemethyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
SMILESCOC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1OC
InChIInChI=1S/C23H20N2O5S/c1-27-19-10-14(5-6-16(19)23(26)28-2)12-30-22-21(24)17(15-7-8-29-13-15)11-18(25-22)20-4-3-9-31-20/h3-11,13H,12,24H2,1-2H3
InChIKeyJHANSCPDNFLODR-UHFFFAOYSA-N
XLogP5.03
TPSA96.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

4-[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate
CID 59143960
4-[[4-(furan-3-yl)-3-[(methylideneamino)methyl]-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568629
3-[[4-(furan-3-yl)-3-(methyliminomethyl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568664
2-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxy]-N-(2,3-dihydro-1H-tetrazol-5-yl)-2-phenylacetamide
CID 71159727
4-[[3-amino-4-(5-ethylfuran-2-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 71159224
3-bromo-4-[[4-(furan-3-yl)-3-methanimidoyl-6-thiophen-2-yl-2-pyridinyl]oxymethyl]benzoic acid
CID 143568618
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
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
sodium 4-[[[3-cyano-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]amino]methyl]benzoate
CID 169428089
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140
N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42189410
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The IUPAC name of methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate (CID 71159216) is methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The canonical SMILES for methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate is COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1OC.
What is the InChIKey of methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
The InChIKey is JHANSCPDNFLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O5S/c1-27-19-10-14(5-6-16(19)23(26)28-2)12-30-22-21(24)17(15-7-8-29-13-15)11-18(25-22)20-4-3-9-31-20/h3-11,13H,12,24H2,1-2H3.
What are the key properties of methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate?
methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate has a molecular weight of 436.49 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[3-amino-4-(furan-3-yl)-6-thiophen-2-yl-2-pyridinyl]oxymethyl]-2-methoxybenzoate is sourced from PubChem (CID 71159216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).