4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione

C26H30N4O7S — CID 3455219

IUPAC4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)C(c2cccnc2)C1=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N4O7S/c31-24(19-3-5-21(6-4-19)38(34,35)29-12-16-37-17-13-29)22-23(20-2-1-7-27-18-20)30(26(33)25(22)32)9-8-28-10-14-36-15-11-28/h1-7,18,23,31H,8-17H2
InChIKeyMTDHOHXVORQAIT-UHFFFAOYSA-N
MW542.61 g/mol
LogP0.86
Rot. Bonds7

About 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione

4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione (PubChem CID 3455219) has the molecular formula C26H30N4O7S and a molecular weight of 542.61 g/mol. Its IUPAC name is 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
PubChem CID3455219
Molecular FormulaC26H30N4O7S
Molecular Weight542.61 g/mol
Exact Mass542.18
IUPAC Name4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)C(c2cccnc2)C1=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N4O7S/c31-24(19-3-5-21(6-4-19)38(34,35)29-12-16-37-17-13-29)22-23(20-2-1-7-27-18-20)30(26(33)25(22)32)9-8-28-10-14-36-15-11-28/h1-7,18,23,31H,8-17H2
InChIKeyMTDHOHXVORQAIT-UHFFFAOYSA-N
XLogP0.86
TPSA129.58 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.61
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione 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

(4E,5R)-4-[hydroxy(phenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 5441483
4-[hydroxy-[(2S)-1-(2-morpholin-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]methyl]-N,N-dimethylbenzenesulfonamide
CID 1326415
(5R)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 1496410
4-[(4-chlorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 2908756
(4E,5S)-4-[(4-butoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 98380789
(4E,5R)-4-[hydroxy-(4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 98382827
(4Z)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 6494176
(5R)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 1236743
(4E)-4-[hydroxy(pyridin-4-yl)methylidene]-1-(2-morpholin-4-ylethyl)-5-phenylpyrrolidine-2,3-dione
CID 6199481
(4Z)-4-[hydroxy-(3-methoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 6398917
(5R)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 1168407
(4E,5S)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 98353950

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The IUPAC name of 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione (CID 3455219) is 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione.
What is the SMILES notation for 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The canonical SMILES for 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is O=C1C(=O)N(CCN2CCOCC2)C(c2cccnc2)C1=C(O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
The InChIKey is MTDHOHXVORQAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O7S/c31-24(19-3-5-21(6-4-19)38(34,35)29-12-16-37-17-13-29)22-23(20-2-1-7-27-18-20)30(26(33)25(22)32)9-8-28-10-14-36-15-11-28/h1-7,18,23,31H,8-17H2.
What are the key properties of 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione?
4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione has a molecular weight of 542.61 g/mol, XLogP of 0.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy-(4-morpholin-4-ylsulfonylphenyl)methylidene]-1-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyrrolidine-2,3-dione is sourced from PubChem (CID 3455219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).