ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

C26H20F2N4O3 — CID 66863831

IUPACethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-9-8-20(13-24(31)30-21)29-25(33)23-12-17-11-19(28)6-7-22(17)32(23)14-16-4-3-5-18(27)10-16/h3-13,15H,2,14H2,1H3,(H,29,33)
InChIKeyNUEWLTVSSFQMCW-UHFFFAOYSA-N
MW474.47 g/mol
LogP5.04
Rot. Bonds6

About ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 66863831) has the molecular formula C26H20F2N4O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID66863831
Molecular FormulaC26H20F2N4O3
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC Nameethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-9-8-20(13-24(31)30-21)29-25(33)23-12-17-11-19(28)6-7-22(17)32(23)14-16-4-3-5-18(27)10-16/h3-13,15H,2,14H2,1H3,(H,29,33)
InChIKeyNUEWLTVSSFQMCW-UHFFFAOYSA-N
XLogP5.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate 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 ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 66863831) is ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2ccc(NC(=O)c3cc4cc(F)ccc4n3Cc3cccc(F)c3)cc2n1.
What is the InChIKey of ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is NUEWLTVSSFQMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O3/c1-2-35-26(34)21-15-31-9-8-20(13-24(31)30-21)29-25(33)23-12-17-11-19(28)6-7-22(17)32(23)14-16-4-3-5-18(27)10-16/h3-13,15H,2,14H2,1H3,(H,29,33).
What are the key properties of ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 474.47 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[[5-fluoro-1-[(3-fluorophenyl)methyl]indole-2-carbonyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 66863831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).