5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide

C36H37FN6O5 — CID 158423257

IUPAC5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide
SMILESC=C1CCC(N2C(=O)c3cccc(NCCCCCCNC(=O)c4c(C)[nH]c(/C=C5\C(=O)Nc6ccc(F)cc65)c4C)c3C2=O)C(=O)N1
InChIInChI=1S/C36H37FN6O5/c1-19-11-14-29(33(45)40-19)43-35(47)23-9-8-10-27(31(23)36(43)48)38-15-6-4-5-7-16-39-34(46)30-20(2)28(41-21(30)3)18-25-24-17-22(37)12-13-26(24)42-32(25)44/h8-10,12-13,17-18,29,38,41H,1,4-7,11,14-16H2,2-3H3,(H,39,46)(H,40,45)(H,42,44)/b25-18-
InChIKeyFJTPCUMWNJEUNA-BWAHOGKJSA-N
MW652.73 g/mol
LogP5.05
Rot. Bonds11

About 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide

5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide (PubChem CID 158423257) has the molecular formula C36H37FN6O5 and a molecular weight of 652.73 g/mol. Its IUPAC name is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide
PubChem CID158423257
Molecular FormulaC36H37FN6O5
Molecular Weight652.73 g/mol
Exact Mass652.28
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide
SMILESC=C1CCC(N2C(=O)c3cccc(NCCCCCCNC(=O)c4c(C)[nH]c(/C=C5\C(=O)Nc6ccc(F)cc65)c4C)c3C2=O)C(=O)N1
InChIInChI=1S/C36H37FN6O5/c1-19-11-14-29(33(45)40-19)43-35(47)23-9-8-10-27(31(23)36(43)48)38-15-6-4-5-7-16-39-34(46)30-20(2)28(41-21(30)3)18-25-24-17-22(37)12-13-26(24)42-32(25)44/h8-10,12-13,17-18,29,38,41H,1,4-7,11,14-16H2,2-3H3,(H,39,46)(H,40,45)(H,42,44)/b25-18-
InChIKeyFJTPCUMWNJEUNA-BWAHOGKJSA-N
XLogP5.05
TPSA152.50 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.73
LogP ≤ 55.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-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

N-[3-[4-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]octylamino]-4-oxobutyl]piperazin-1-yl]propyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155719374
N-[2-[[2-[7-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]heptylamino]-2-oxoethyl]-ethylamino]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155719297
N-[8-[[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]benzoyl]amino]octyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 134542049
N-[10-[4-[[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]phenyl]-10-oxodecyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 161346871
N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 134541392
N-[3-[4-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]piperazin-1-yl]propyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 167319757
N-[2-[4-[8-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]octanoyl]piperazin-1-yl]ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 155719130
5-[(Z)-[5-(3-amino-3-oxopropyl)-2-oxo-1H-indol-3-ylidene]methyl]-N-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 166924527
N-(3-amino-3-oxopropyl)-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 71035266
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-hydroxybutyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 143059254
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[5-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]pentyl]-1H-pyrrole-3-carboxamide
CID 162513258

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide (CID 158423257) is 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide is C=C1CCC(N2C(=O)c3cccc(NCCCCCCNC(=O)c4c(C)[nH]c(/C=C5\C(=O)Nc6ccc(F)cc65)c4C)c3C2=O)C(=O)N1.
What is the InChIKey of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide?
The InChIKey is FJTPCUMWNJEUNA-BWAHOGKJSA-N. The full InChI is InChI=1S/C36H37FN6O5/c1-19-11-14-29(33(45)40-19)43-35(47)23-9-8-10-27(31(23)36(43)48)38-15-6-4-5-7-16-39-34(46)30-20(2)28(41-21(30)3)18-25-24-17-22(37)12-13-26(24)42-32(25)44/h8-10,12-13,17-18,29,38,41H,1,4-7,11,14-16H2,2-3H3,(H,39,46)(H,40,45)(H,42,44)/b25-18-.
What are the key properties of 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide?
5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide has a molecular weight of 652.73 g/mol, XLogP of 5.05, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[6-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 158423257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).