1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione

C23H24N4O4 — CID 66636228

IUPAC1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1Nc2ccc(CN3C(=O)CCC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1
InChIInChI=1S/C23H24N4O4/c28-21-3-4-22(29)27(21)14-15-1-2-20-18(10-15)19(23(30)25-20)11-17-9-16(12-24-17)13-26-5-7-31-8-6-26/h1-2,9-12,24H,3-8,13-14H2,(H,25,30)/b19-11-
InChIKeyOADOTELLDBAKRM-ODLFYWEKSA-N
MW420.47 g/mol
LogP1.99
Rot. Bonds5

About 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione

1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 66636228) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione
PubChem CID66636228
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione
SMILESO=C1Nc2ccc(CN3C(=O)CCC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1
InChIInChI=1S/C23H24N4O4/c28-21-3-4-22(29)27(21)14-15-1-2-20-18(10-15)19(23(30)25-20)11-17-9-16(12-24-17)13-26-5-7-31-8-6-26/h1-2,9-12,24H,3-8,13-14H2,(H,25,30)/b19-11-
InChIKeyOADOTELLDBAKRM-ODLFYWEKSA-N
XLogP1.99
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-5-[(2-oxopyrrolidin-1-yl)methyl]-1H-indol-2-one
CID 66636569
3-[[(3E)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 71812212
3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-5-propan-2-ylidene-1,3-thiazolidine-2,4-dione
CID 87085701
[3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-2,4-dioxoimidazolidin-1-yl] methanesulfonate
CID 142741993
3-[2-[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 87213967
5-(4-chlorophenyl)-3-[[3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-6H-1,3,4-oxadiazin-2-one;hydrochloride
CID 66636826
3-[[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 173003299
5-(hydroxymethyl)-3-[[4-[(4-methoxypiperidin-1-yl)methyl]-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 66636334
3-[[4-(3-azabicyclo[3.1.0]hexan-3-ylmethyl)-1H-pyrrol-2-yl]methylidene]-5-(hydroxymethyl)-1H-indol-2-one
CID 66764671
3-[2-[3-[[4-[[(5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]ethyl]-1,3-oxazolidin-2-one;hydrochloride
CID 66636348
3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 66636790
(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one
CID 141246286

Frequently Asked Questions

What is the IUPAC name of 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione (CID 66636228) is 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione is O=C1Nc2ccc(CN3C(=O)CCC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1.
What is the InChIKey of 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is OADOTELLDBAKRM-ODLFYWEKSA-N. The full InChI is InChI=1S/C23H24N4O4/c28-21-3-4-22(29)27(21)14-15-1-2-20-18(10-15)19(23(30)25-20)11-17-9-16(12-24-17)13-26-5-7-31-8-6-26/h1-2,9-12,24H,3-8,13-14H2,(H,25,30)/b19-11-.
What are the key properties of 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione?
1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 420.47 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 66636228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).