N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

C28H20F3N5O3 — CID 59362775

IUPACN-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C1Nc2cc(/C=C/CNC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)ccc2/C1=C/c1ncc[nH]1
InChIInChI=1S/C28H20F3N5O3/c29-21-11-17(12-22(30)25(21)31)15-36-10-2-4-19(28(36)39)26(37)34-7-1-3-16-5-6-18-20(14-24-32-8-9-33-24)27(38)35-23(18)13-16/h1-6,8-14H,7,15H2,(H,32,33)(H,34,37)(H,35,38)/b3-1+,20-14-
InChIKeyVNEJEQCZRNTOGE-HENNKWLJSA-N
MW531.49 g/mol
LogP3.97
Rot. Bonds7

About N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide

N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 59362775) has the molecular formula C28H20F3N5O3 and a molecular weight of 531.49 g/mol. Its IUPAC name is N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID59362775
Molecular FormulaC28H20F3N5O3
Molecular Weight531.49 g/mol
Exact Mass531.15
IUPAC NameN-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide
SMILESO=C1Nc2cc(/C=C/CNC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)ccc2/C1=C/c1ncc[nH]1
InChIInChI=1S/C28H20F3N5O3/c29-21-11-17(12-22(30)25(21)31)15-36-10-2-4-19(28(36)39)26(37)34-7-1-3-16-5-6-18-20(14-24-32-8-9-33-24)27(38)35-23(18)13-16/h1-6,8-14H,7,15H2,(H,32,33)(H,34,37)(H,35,38)/b3-1+,20-14-
InChIKeyVNEJEQCZRNTOGE-HENNKWLJSA-N
XLogP3.97
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.49
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide (CID 59362775) is N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is O=C1Nc2cc(/C=C/CNC(=O)c3cccn(Cc4cc(F)c(F)c(F)c4)c3=O)ccc2/C1=C/c1ncc[nH]1.
What is the InChIKey of N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is VNEJEQCZRNTOGE-HENNKWLJSA-N. The full InChI is InChI=1S/C28H20F3N5O3/c29-21-11-17(12-22(30)25(21)31)15-36-10-2-4-19(28(36)39)26(37)34-7-1-3-16-5-6-18-20(14-24-32-8-9-33-24)27(38)35-23(18)13-16/h1-6,8-14H,7,15H2,(H,32,33)(H,34,37)(H,35,38)/b3-1+,20-14-.
What are the key properties of N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide?
N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 531.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-[(3Z)-3-(1H-imidazol-2-ylmethylidene)-2-oxo-1H-indol-6-yl]prop-2-enyl]-2-oxo-1-[(3,4,5-trifluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 59362775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).