3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one

C25H20N2O4S — CID 67532747

IUPAC3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
SMILESO=C(c1ccccc1)c1c(C(=O)N2CCOCC2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H20N2O4S/c28-20-12-11-19-21(22(29)17-7-3-1-4-8-17)23(24(30)26-13-15-31-16-14-26)32-25(19)27(20)18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyDKFFWRMXPHXAAT-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.76
Rot. Bonds4

About 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one

3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one (PubChem CID 67532747) has the molecular formula C25H20N2O4S and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
PubChem CID67532747
Molecular FormulaC25H20N2O4S
Molecular Weight444.51 g/mol
Exact Mass444.11
IUPAC Name3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one
SMILESO=C(c1ccccc1)c1c(C(=O)N2CCOCC2)sc2c1ccc(=O)n2-c1ccccc1
InChIInChI=1S/C25H20N2O4S/c28-20-12-11-19-21(22(29)17-7-3-1-4-8-17)23(24(30)26-13-15-31-16-14-26)32-25(19)27(20)18-9-5-2-6-10-18/h1-12H,13-16H2
InChIKeyDKFFWRMXPHXAAT-UHFFFAOYSA-N
XLogP3.76
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one 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

N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)-4-methylpiperazine-1-carboxamide
CID 67531475
3-amino-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 141082039
(2R)-N-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 67533726
3-(6-methylpyridine-2-carbonyl)-6-oxo-7-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 67533952
2-amino-3-benzoyl-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
CID 67531139
[1-(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)azetidin-3-yl]-tert-butylcarbamic acid
CID 67533187
2-[[2-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-6-oxo-7-phenylthieno[2,3-b]pyridin-3-yl]amino]benzonitrile
CID 66970646
(3-hydroxy-1-benzothiophen-2-yl)-morpholin-4-ylmethanone
CID 94036706
7-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-3-phenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 21084005
(3R)-3-[(3-benzoyl-6-oxo-7-phenylthieno[2,3-b]pyridin-2-yl)carbamoylamino]-2-tert-butylpyrrolidine-1-carboxylic acid
CID 67533507
3-(3-methylbenzoyl)-7-phenyl-2-(piperidin-4-ylamino)thieno[2,3-b]pyridin-6-one
CID 67532498
[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110251063

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one (CID 67532747) is 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one is O=C(c1ccccc1)c1c(C(=O)N2CCOCC2)sc2c1ccc(=O)n2-c1ccccc1.
What is the InChIKey of 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one?
The InChIKey is DKFFWRMXPHXAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O4S/c28-20-12-11-19-21(22(29)17-7-3-1-4-8-17)23(24(30)26-13-15-31-16-14-26)32-25(19)27(20)18-9-5-2-6-10-18/h1-12H,13-16H2.
What are the key properties of 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one?
3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one has a molecular weight of 444.51 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-(morpholine-4-carbonyl)-7-phenylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 67532747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).