N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide

C32H32FN5O5 — CID 118987769

IUPACN-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)C4CNCC(c5ccc(F)cc5)C4=O)ccc32)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C32H32FN5O5/c1-17-26(35-18(2)28(17)32(42)38-9-11-43-12-10-38)14-23-22-8-7-21(13-27(22)37-30(23)40)36-31(41)25-16-34-15-24(29(25)39)19-3-5-20(33)6-4-19/h3-8,13-14,24-25,34-35H,9-12,15-16H2,1-2H3,(H,36,41)(H,37,40)/b23-14-
InChIKeyFXWIUPCNKYHXMK-UCQKPKSFSA-N
MW585.64 g/mol
LogP3.25
Rot. Bonds5

About N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide

N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide (PubChem CID 118987769) has the molecular formula C32H32FN5O5 and a molecular weight of 585.64 g/mol. Its IUPAC name is N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide
PubChem CID118987769
Molecular FormulaC32H32FN5O5
Molecular Weight585.64 g/mol
Exact Mass585.24
IUPAC NameN-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide
SMILESCc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)C4CNCC(c5ccc(F)cc5)C4=O)ccc32)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C32H32FN5O5/c1-17-26(35-18(2)28(17)32(42)38-9-11-43-12-10-38)14-23-22-8-7-21(13-27(22)37-30(23)40)36-31(41)25-16-34-15-24(29(25)39)19-3-5-20(33)6-4-19/h3-8,13-14,24-25,34-35H,9-12,15-16H2,1-2H3,(H,36,41)(H,37,40)/b23-14-
InChIKeyFXWIUPCNKYHXMK-UCQKPKSFSA-N
XLogP3.25
TPSA132.63 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.64
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide 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

1-[5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]-4-morpholin-4-ylpiperidine-4-carboxamide
CID 91114566
3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-carboxamide
CID 123771401
(3Z)-3-[[3,5-dimethyl-4-(1,4,7,10-tetraoxa-13-azacyclopentadecane-13-carbonyl)-1H-pyrrol-2-yl]methylidene]-N-methyl-2-oxo-1H-indole-5-sulfonamide
CID 89027682
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 73171800
5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-3-hydroxy-1-morpholin-4-yl-1-oxopropan-2-yl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 91473708
N-[(2S)-1,5-dimorpholin-4-yl-1,5-dioxopentan-2-yl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 90851612
N-[[3-[[3,5-dimethyl-4-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]carbamoyl]-2-fluoro-4-methoxybenzamide
CID 140665510
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 10225366
5-[[6-(benzoylcarbamoylamino)-2-oxo-1H-indol-3-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 123598424
(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-5-(2-phenyl-1,3-oxazol-5-yl)-1H-indol-2-one
CID 85472590
2,4-dimethyl-5-[[6-[3-[(3-methylbenzoyl)amino]phenoxy]-2-oxo-1H-indol-3-ylidene]methyl]-N-(2-morpholin-4-ylethyl)-1H-pyrrole-3-carboxamide
CID 66675066
N-[3-[[(3Z)-3-[[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]oxy]phenyl]-3-(trifluoromethyl)benzamide
CID 66675767

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide (CID 118987769) is N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide is Cc1[nH]c(/C=C2\C(=O)Nc3cc(NC(=O)C4CNCC(c5ccc(F)cc5)C4=O)ccc32)c(C)c1C(=O)N1CCOCC1.
What is the InChIKey of N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide?
The InChIKey is FXWIUPCNKYHXMK-UCQKPKSFSA-N. The full InChI is InChI=1S/C32H32FN5O5/c1-17-26(35-18(2)28(17)32(42)38-9-11-43-12-10-38)14-23-22-8-7-21(13-27(22)37-30(23)40)36-31(41)25-16-34-15-24(29(25)39)19-3-5-20(33)6-4-19/h3-8,13-14,24-25,34-35H,9-12,15-16H2,1-2H3,(H,36,41)(H,37,40)/b23-14-.
What are the key properties of N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide?
N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide has a molecular weight of 585.64 g/mol, XLogP of 3.25, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-[[3,5-dimethyl-4-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-6-yl]-5-(4-fluorophenyl)-4-oxopiperidine-3-carboxamide is sourced from PubChem (CID 118987769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).