ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate

C26H20F2N4O3 — CID 141245362

IUPACethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3c(C(N)=O)n(Cc4cccc(F)c4)c4ccc(F)cc34)ccc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)20-14-31-13-16(6-9-22(31)30-20)23-19-11-18(28)7-8-21(19)32(24(23)25(29)33)12-15-4-3-5-17(27)10-15/h3-11,13-14H,2,12H2,1H3,(H2,29,33)
InChIKeyBUKVNYKMLMKFBD-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.56
Rot. Bonds6

About ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 141245362) has the molecular formula C26H20F2N4O3 and a molecular weight of 474.47 g/mol. Its IUPAC name is ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID141245362
Molecular FormulaC26H20F2N4O3
Molecular Weight474.47 g/mol
Exact Mass474.15
IUPAC Nameethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3c(C(N)=O)n(Cc4cccc(F)c4)c4ccc(F)cc34)ccc2n1
InChIInChI=1S/C26H20F2N4O3/c1-2-35-26(34)20-14-31-13-16(6-9-22(31)30-20)23-19-11-18(28)7-8-21(19)32(24(23)25(29)33)12-15-4-3-5-17(27)10-15/h3-11,13-14H,2,12H2,1H3,(H2,29,33)
InChIKeyBUKVNYKMLMKFBD-UHFFFAOYSA-N
XLogP4.56
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Related Compounds

Ethyl 5-(dipropylcarbamoyl)-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127044891
(9-Carbamoyl-4-{4-[2-(3,4-difluoro-phenyl)-ethyl]-piperazin-1-yl}-pyrimido[5,4-b]indol-5-yl)-acetic acid ethyl ester
CID 11477947
3-[3-(1-Methylindol-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzamide
CID 117770204
(6-Fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 154626629
2-(2-methyl-1H-indol-1-yl)-N-{[2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}ethanamine
CID 16190661
1-{1-[4-(2-Butyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenylcarbamoyl]-2-phenyl-ethyl}-1H-pyrrole-2-carboxylic acid methyl ester
CID 44293816
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
Ethyl 5-[benzyl(methyl)carbamoyl]imidazo[1,5-a]quinoline-3-carboxylate
CID 127044863
Ethyl 5-[benzyl(methyl)carbamoyl]-7-fluoroimidazo[1,5-a]quinoline-3-carboxylate
CID 127045047
(6-Fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(3-morpholin-4-ylpropyl)indol-3-yl]methanone
CID 162663369
(6-Fluoro-1-methylbenzimidazol-2-yl)-[7-fluoro-1-(4-morpholin-4-ylbutyl)indol-3-yl]methanone
CID 162666442
Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate
CID 23120543

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate (CID 141245362) is ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3c(C(N)=O)n(Cc4cccc(F)c4)c4ccc(F)cc34)ccc2n1.
What is the InChIKey of ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is BUKVNYKMLMKFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4O3/c1-2-35-26(34)20-14-31-13-16(6-9-22(31)30-20)23-19-11-18(28)7-8-21(19)32(24(23)25(29)33)12-15-4-3-5-17(27)10-15/h3-11,13-14H,2,12H2,1H3,(H2,29,33).
What are the key properties of ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 474.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-carbamoyl-5-fluoro-1-[(3-fluorophenyl)methyl]indol-3-yl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 141245362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).