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

C26H21N3O5S — CID 57490684

IUPAC3-[[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)nc1OCc1ccsc1C(=O)O
InChIInChI=1S/C26H21N3O5S/c27-14-22-21(18-5-9-33-15-18)13-23(17-1-3-20(4-2-17)29-7-10-32-11-8-29)28-25(22)34-16-19-6-12-35-24(19)26(30)31/h1-6,9,12-13,15H,7-8,10-11,16H2,(H,30,31)
InChIKeySVAMEXYMNQTDGJ-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.06
Rot. Bonds7

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

3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid (PubChem CID 57490684) has the molecular formula C26H21N3O5S and a molecular weight of 487.54 g/mol. Its IUPAC name is 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
PubChem CID57490684
Molecular FormulaC26H21N3O5S
Molecular Weight487.54 g/mol
Exact Mass487.12
IUPAC Name3-[[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)nc1OCc1ccsc1C(=O)O
InChIInChI=1S/C26H21N3O5S/c27-14-22-21(18-5-9-33-15-18)13-23(17-1-3-20(4-2-17)29-7-10-32-11-8-29)28-25(22)34-16-19-6-12-35-24(19)26(30)31/h1-6,9,12-13,15H,7-8,10-11,16H2,(H,30,31)
InChIKeySVAMEXYMNQTDGJ-UHFFFAOYSA-N
XLogP5.06
TPSA108.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

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CID 23685762
CID 24863491
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CID 24863579
CID 24863579
CID 24863580
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CID 24946754
CID 24946754
CID 57446313
CID 57446313
CID 57446314
CID 57446314
CID 57446320
CID 57446320

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid (CID 57490684) is 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 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The canonical SMILES for 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)nc1OCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
The InChIKey is SVAMEXYMNQTDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5S/c27-14-22-21(18-5-9-33-15-18)13-23(17-1-3-20(4-2-17)29-7-10-32-11-8-29)28-25(22)34-16-19-6-12-35-24(19)26(30)31/h1-6,9,12-13,15H,7-8,10-11,16H2,(H,30,31).
What are the key properties of 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid?
3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid has a molecular weight of 487.54 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 57490684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).