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

C24H28N4O4 — CID 66636609

IUPAC3-[[(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
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c(C)c1CN1CCOCC1
InChIInChI=1S/C24H28N4O4/c1-15-20(14-27-5-8-31-9-6-27)16(2)25-22(15)12-19-18-11-17(3-4-21(18)26-23(19)29)13-28-7-10-32-24(28)30/h3-4,11-12,25H,5-10,13-14H2,1-2H3,(H,26,29)/b19-12-
InChIKeyWUKRXXSLWROUOB-UNOMPAQXSA-N
MW436.51 g/mol
LogP2.91
Rot. Bonds5

About 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

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 (PubChem CID 66636609) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[[(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
PubChem CID66636609
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[[(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
SMILESCc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c(C)c1CN1CCOCC1
InChIInChI=1S/C24H28N4O4/c1-15-20(14-27-5-8-31-9-6-27)16(2)25-22(15)12-19-18-11-17(3-4-21(18)26-23(19)29)13-28-7-10-32-24(28)30/h3-4,11-12,25H,5-10,13-14H2,1-2H3,(H,26,29)/b19-12-
InChIKeyWUKRXXSLWROUOB-UNOMPAQXSA-N
XLogP2.91
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[[(3Z)-3-[[4-[[(1S,5R)-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 66636214
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
3-[[3,5-dimethyl-4-(3-morpholin-4-ylpropyl)-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
CID 54360731
3-[[(3Z)-3-[[4-(diethylaminomethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 66636790
3-[[3,5-dimethyl-4-(2-morpholin-4-ylethylamino)-1H-pyrrol-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 123669494
3-[[3-[1-[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]ethylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 66636548
3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-5-[(2-oxopyrrolidin-1-yl)methyl]-1H-indol-2-one
CID 66636569
(3Z)-3-[[4-[[(3S)-3,5-dimethyl-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-sulfanyl-1H-indol-2-one
CID 142189882
5-amino-3-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 54038703
[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
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
(3Z)-3-[[4-[(4-acetylpiperazin-1-yl)methyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-5-[(2,6-dichlorophenyl)methylsulfonyl]-1H-indol-2-one
CID 59077551

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]c(/C=C2\C(=O)Nc3ccc(CN4CCOC4=O)cc32)c(C)c1CN1CCOCC1.
What is the InChIKey of 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?
The InChIKey is WUKRXXSLWROUOB-UNOMPAQXSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-15-20(14-27-5-8-31-9-6-27)16(2)25-22(15)12-19-18-11-17(3-4-21(18)26-23(19)29)13-28-7-10-32-24(28)30/h3-4,11-12,25H,5-10,13-14H2,1-2H3,(H,26,29)/b19-12-.
What are the key properties of 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?
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 has a molecular weight of 436.51 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66636609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).