7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid

C26H24N2O5S — CID 21084005

IUPAC7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2c(ccc(=O)n2-c2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C26H24N2O5S/c29-22-11-10-21-23(18-4-2-1-3-5-18)24(26(30)31)34-25(21)28(22)19-6-8-20(9-7-19)33-17-14-27-12-15-32-16-13-27/h1-11H,12-17H2,(H,30,31)
InChIKeyWRSHCNUETUUCTC-UHFFFAOYSA-N
MW476.55 g/mol
LogP4.13
Rot. Bonds7

About 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid

7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid (PubChem CID 21084005) has the molecular formula C26H24N2O5S and a molecular weight of 476.55 g/mol. Its IUPAC name is 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
PubChem CID21084005
Molecular FormulaC26H24N2O5S
Molecular Weight476.55 g/mol
Exact Mass476.14
IUPAC Name7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
SMILESO=C(O)c1sc2c(ccc(=O)n2-c2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1
InChIInChI=1S/C26H24N2O5S/c29-22-11-10-21-23(18-4-2-1-3-5-18)24(26(30)31)34-25(21)28(22)19-6-8-20(9-7-19)33-17-14-27-12-15-32-16-13-27/h1-11H,12-17H2,(H,30,31)
InChIKeyWRSHCNUETUUCTC-UHFFFAOYSA-N
XLogP4.13
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid with MolForge

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Related Compounds

3-[4-(2-morpholin-4-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651729
7-hydroxy-4-[[4-(2-morpholin-4-ylethoxy)phenyl]methyl]-3-phenylchromen-2-one
CID 10182867
(6-hydroxy-2-phenyl-1-benzothiophen-3-yl)-[4-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 18410284
7-(2-morpholin-4-ylethoxy)-2-phenylchromen-4-one
CID 162359717
3-[4-(2-piperidin-1-ylethoxy)phenyl]thieno[2,3-b]pyridine-2-carboxylic acid
CID 139651716
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
CID 67532747
5-methyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-one
CID 71543198
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
CID 141124358
1-[4-(2-morpholin-4-ylethoxy)phenyl]butan-1-one
CID 66821978

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The IUPAC name of 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid (CID 21084005) is 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The canonical SMILES for 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid is O=C(O)c1sc2c(ccc(=O)n2-c2ccc(OCCN3CCOCC3)cc2)c1-c1ccccc1.
What is the InChIKey of 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
The InChIKey is WRSHCNUETUUCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5S/c29-22-11-10-21-23(18-4-2-1-3-5-18)24(26(30)31)34-25(21)28(22)19-6-8-20(9-7-19)33-17-14-27-12-15-32-16-13-27/h1-11H,12-17H2,(H,30,31).
What are the key properties of 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid?
7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid has a molecular weight of 476.55 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 21084005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).