(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one

C23H26N4O3 — CID 141246286

IUPAC(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one
SMILESO=C1Nc2ccc(CC3CCNC3=O)cc2/C1=C/c1c[nH]cc1CN1CCOCC1
InChIInChI=1S/C23H26N4O3/c28-22-16(3-4-25-22)9-15-1-2-21-19(10-15)20(23(29)26-21)11-17-12-24-13-18(17)14-27-5-7-30-8-6-27/h1-2,10-13,16,24H,3-9,14H2,(H,25,28)(H,26,29)/b20-11-
InChIKeyXFKREBGQTBOPGF-JAIQZWGSSA-N
MW406.49 g/mol
LogP2.02
Rot. Bonds5

About (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one

(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one (PubChem CID 141246286) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one
PubChem CID141246286
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one
SMILESO=C1Nc2ccc(CC3CCNC3=O)cc2/C1=C/c1c[nH]cc1CN1CCOCC1
InChIInChI=1S/C23H26N4O3/c28-22-16(3-4-25-22)9-15-1-2-21-19(10-15)20(23(29)26-21)11-17-12-24-13-18(17)14-27-5-7-30-8-6-27/h1-2,10-13,16,24H,3-9,14H2,(H,25,28)(H,26,29)/b20-11-
InChIKeyXFKREBGQTBOPGF-JAIQZWGSSA-N
XLogP2.02
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_L(4)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
3-[(4-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(2-morpholin-4-ylethyl)-1H-indol-2-one
CID 57315504
3-[[4-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1H-pyrrol-2-yl]methylidene]-5-[2-(2-oxopyrrolidin-3-yl)ethyl]-1H-indol-2-one;hydrochloride
CID 141246246
3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-5-[(2-oxopyrrolidin-1-yl)methyl]-1H-indol-2-one
CID 66636569
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
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
(3E)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1H-indol-2-one
CID 70126009
3-[[(3Z)-3-[[3,5-dimethyl-4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 66636609
[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-(morpholin-4-ylmethyl)-1H-imidazol-5-yl]methylidene]-5-propan-2-yloxy-1H-indol-2-one
CID 78015917
3-methyl-2-[(Z)-[5-(methylsulfonylmethyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-(2-morpholin-4-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
CID 58544045

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one?
The IUPAC name of (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one (CID 141246286) is (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one?
The canonical SMILES for (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one is O=C1Nc2ccc(CC3CCNC3=O)cc2/C1=C/c1c[nH]cc1CN1CCOCC1.
What is the InChIKey of (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one?
The InChIKey is XFKREBGQTBOPGF-JAIQZWGSSA-N. The full InChI is InChI=1S/C23H26N4O3/c28-22-16(3-4-25-22)9-15-1-2-21-19(10-15)20(23(29)26-21)11-17-12-24-13-18(17)14-27-5-7-30-8-6-27/h1-2,10-13,16,24H,3-9,14H2,(H,25,28)(H,26,29)/b20-11-.
What are the key properties of (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one?
(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-3-yl]methylidene]-5-[(2-oxopyrrolidin-3-yl)methyl]-1H-indol-2-one is sourced from PubChem (CID 141246286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).