ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate

C35H35F4N5O4Si — CID 140861918

IUPACethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccn12
InChIInChI=1S/C35H35F4N5O4Si/c1-7-47-33(46)28-19-42-31-29(23(12-15-44(28)31)22-11-8-10-21(16-22)20-48-49(5,6)34(2,3)4)43-32(45)25-17-24(30-40-13-9-14-41-30)26(18-27(25)36)35(37,38)39/h8-19H,7,20H2,1-6H3,(H,43,45)
InChIKeyUJAUVTKJJVBANP-UHFFFAOYSA-N
MW693.77 g/mol
LogP8.57
Rot. Bonds9

About ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate

ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 140861918) has the molecular formula C35H35F4N5O4Si and a molecular weight of 693.77 g/mol. Its IUPAC name is ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID140861918
Molecular FormulaC35H35F4N5O4Si
Molecular Weight693.77 g/mol
Exact Mass693.24
IUPAC Nameethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccn12
InChIInChI=1S/C35H35F4N5O4Si/c1-7-47-33(46)28-19-42-31-29(23(12-15-44(28)31)22-11-8-10-21(16-22)20-48-49(5,6)34(2,3)4)43-32(45)25-17-24(30-40-13-9-14-41-30)26(18-27(25)36)35(37,38)39/h8-19H,7,20H2,1-6H3,(H,43,45)
InChIKeyUJAUVTKJJVBANP-UHFFFAOYSA-N
XLogP8.57
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.77
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl 6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]carbonyl}-amino)imidazo[1,2-a]pyridine-2-carboxylate
CID 23120543
Methyl 1-benzyl-5-(cyclohexylmethylamino)-3-(pyridine-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26228669
US9718828, Example, 312
CID 71222806
8-[[2-Fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 122609178
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609218
2-fluoro-N-[7-[3-(hydroxymethyl)phenyl]-3-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-8-yl]-5-pyrimidin-2-yl-4-(trifluoromethyl)benzamide
CID 122609266
US11186579, Example 1
CID 146341478
methyl 5-(cyclohexylamino)-1-(2-methoxyethyl)-3-[(phenylacetyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26222512
methyl 3-benzamido-5-[(3,4-difluorophenyl)methylamino]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26229235
Methyl 3-methyl-6-({[4'-(trifluoromethyl) [1,1'-biphenyl]-4-yl]-carbonyl}amino)-imidazo[1,2-a]pyridine-2-carboxylate
CID 23120581
N-[2-(Ethyloxycarbonyl)imidazo[1,2-a]pyrid-7-yl]-5-trifluoromethyl-1-[(3-fluoro-phenyl)methyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 66863391
Methyl 2-methyl-4-[3-[3-methyl-4-(methylcarbamoyl)phenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-6-yl]benzoate
CID 70818053

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate (CID 140861918) is ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate is CCOC(=O)c1cnc2c(NC(=O)c3cc(-c4ncccn4)c(C(F)(F)F)cc3F)c(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3)ccn12.
What is the InChIKey of ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is UJAUVTKJJVBANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F4N5O4Si/c1-7-47-33(46)28-19-42-31-29(23(12-15-44(28)31)22-11-8-10-21(16-22)20-48-49(5,6)34(2,3)4)43-32(45)25-17-24(30-40-13-9-14-41-30)26(18-27(25)36)35(37,38)39/h8-19H,7,20H2,1-6H3,(H,43,45).
What are the key properties of ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate?
ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 693.77 g/mol, XLogP of 8.57, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-8-[[2-fluoro-5-pyrimidin-2-yl-4-(trifluoromethyl)benzoyl]amino]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 140861918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).