4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid

C26H22N4O5S — CID 140546133

IUPAC4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
SMILESN#Cc1c(-c2ccoc2)cc(-c2ccc(N3CCOCC3)cc2)nc1OCc1c(N)csc1C(=O)O
InChIInChI=1S/C26H22N4O5S/c27-12-20-19(17-5-8-34-13-17)11-23(16-1-3-18(4-2-16)30-6-9-33-10-7-30)29-25(20)35-14-21-22(28)15-36-24(21)26(31)32/h1-5,8,11,13,15H,6-7,9-10,14,28H2,(H,31,32)
InChIKeySJKDVTGNFVRPIR-UHFFFAOYSA-N
MW502.55 g/mol
LogP4.64
Rot. Bonds7

About 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid

4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid (PubChem CID 140546133) has the molecular formula C26H22N4O5S and a molecular weight of 502.55 g/mol. Its IUPAC name is 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
PubChem CID140546133
Molecular FormulaC26H22N4O5S
Molecular Weight502.55 g/mol
Exact Mass502.13
IUPAC Name4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
SMILESN#Cc1c(-c2ccoc2)cc(-c2ccc(N3CCOCC3)cc2)nc1OCc1c(N)csc1C(=O)O
InChIInChI=1S/C26H22N4O5S/c27-12-20-19(17-5-8-34-13-17)11-23(16-1-3-18(4-2-16)30-6-9-33-10-7-30)29-25(20)35-14-21-22(28)15-36-24(21)26(31)32/h1-5,8,11,13,15H,6-7,9-10,14,28H2,(H,31,32)
InChIKeySJKDVTGNFVRPIR-UHFFFAOYSA-N
XLogP4.64
TPSA134.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.55
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-5-iodothiophene-2-carboxylate
CID 57490717
sodium 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]benzoate
CID 169428580
methyl 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-5-nitrothiophene-2-carboxylate
CID 57490705
dimethyl 5-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 57490806
ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate
CID 57490691
3-[[3-cyano-6-(4-morpholin-4-ylphenyl)-4-(1,2-oxazol-3-yl)-2-pyridinyl]oxymethyl]-5-iodothiophene-2-carboxylic acid
CID 57490814
3-[[3-cyano-6-(4-morpholin-4-ylphenyl)-4-(1,2-oxazol-3-yl)-2-pyridinyl]oxymethyl]-5-nitrothiophene-2-carboxylic acid
CID 59143957
4-[[3-cyano-6-[4-(1,1-dioxothiazinan-2-yl)phenyl]-4-(furan-3-yl)-2-pyridinyl]oxymethyl]benzoic acid
CID 24863580
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
2-[[3-cyano-4-(3-methyl-1,2-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-3-carboxylic acid
CID 140546128
3-[[3-cyano-4-(3-methyl-1,2-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-5-nitrothiophene-2-carboxylic acid
CID 57490785
2-[[3-cyano-4-(5-methyl-1,3-oxazol-4-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-3-carboxylic acid
CID 57490802

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid (CID 140546133) is 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid is N#Cc1c(-c2ccoc2)cc(-c2ccc(N3CCOCC3)cc2)nc1OCc1c(N)csc1C(=O)O.
What is the InChIKey of 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is SJKDVTGNFVRPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O5S/c27-12-20-19(17-5-8-34-13-17)11-23(16-1-3-18(4-2-16)30-6-9-33-10-7-30)29-25(20)35-14-21-22(28)15-36-24(21)26(31)32/h1-5,8,11,13,15H,6-7,9-10,14,28H2,(H,31,32).
What are the key properties of 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 502.55 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 140546133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).