1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea

C26H21FN6O2 — CID 24961269

IUPAC1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea
SMILESCc1[nH]cnc1/C=C1/C(=O)Nc2cc(Nc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C26H21FN6O2/c1-15-23(29-14-28-15)13-22-21-10-9-20(12-24(21)33-25(22)34)30-18-3-2-4-19(11-18)32-26(35)31-17-7-5-16(27)6-8-17/h2-14,30H,1H3,(H,28,29)(H,33,34)(H2,31,32,35)/b22-13+
InChIKeyGDSRECSAQWOOSU-LPYMAVHISA-N
MW468.49 g/mol
LogP5.74
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea

1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea (PubChem CID 24961269) has the molecular formula C26H21FN6O2 and a molecular weight of 468.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea
PubChem CID24961269
Molecular FormulaC26H21FN6O2
Molecular Weight468.49 g/mol
Exact Mass468.17
IUPAC Name1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea
SMILESCc1[nH]cnc1/C=C1/C(=O)Nc2cc(Nc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ccc21
InChIInChI=1S/C26H21FN6O2/c1-15-23(29-14-28-15)13-22-21-10-9-20(12-24(21)33-25(22)34)30-18-3-2-4-19(11-18)32-26(35)31-17-7-5-16(27)6-8-17/h2-14,30H,1H3,(H,28,29)(H,33,34)(H2,31,32,35)/b22-13+
InChIKeyGDSRECSAQWOOSU-LPYMAVHISA-N
XLogP5.74
TPSA110.94 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.49
LogP ≤ 55.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea 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-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-phenylurea
CID 68704684
(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-6-[3-(5-phenyl-1H-1,2,4-triazol-3-yl)anilino]-1H-indol-2-one
CID 59272746
4-[(4-ethylpiperazin-1-yl)methyl]-N-[3-[[(3Z)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]-3-(trifluoromethyl)benzamide
CID 59804334
1-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 59397078
1-[3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-(2,3,4-trifluorophenyl)urea
CID 24962357
1-(3-chloro-4-fluorophenyl)-3-[3-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 68706304
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 59397203
1-(2,5-difluorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24957212
1-[2-fluoro-5-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68706340
1-(3,4-difluorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24957586
1-(4-chlorophenyl)-3-[4-methyl-3-[[(3E)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]urea
CID 24962718
1-[3-cyano-5-[[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 59397061

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea (CID 24961269) is 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea is Cc1[nH]cnc1/C=C1/C(=O)Nc2cc(Nc3cccc(NC(=O)Nc4ccc(F)cc4)c3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea?
The InChIKey is GDSRECSAQWOOSU-LPYMAVHISA-N. The full InChI is InChI=1S/C26H21FN6O2/c1-15-23(29-14-28-15)13-22-21-10-9-20(12-24(21)33-25(22)34)30-18-3-2-4-19(11-18)32-26(35)31-17-7-5-16(27)6-8-17/h2-14,30H,1H3,(H,28,29)(H,33,34)(H2,31,32,35)/b22-13+.
What are the key properties of 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea?
1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea has a molecular weight of 468.49 g/mol, XLogP of 5.74, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[3-[[(3E)-3-[(5-methyl-1H-imidazol-4-yl)methylidene]-2-oxo-1H-indol-6-yl]amino]phenyl]urea is sourced from PubChem (CID 24961269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).