[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

C17H12F3N3O3 — CID 7246973

IUPAC[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O3/c1-9(16(24)22-11-6-5-10(18)14(19)15(11)20)26-17(25)12-8-23-7-3-2-4-13(23)21-12/h2-9H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyRPLQGYIZXYUTMF-SECBINFHSA-N
MW363.30 g/mol
LogP2.94
Rot. Bonds4

About [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate

[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 7246973) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID7246973
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
SMILESC[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H12F3N3O3/c1-9(16(24)22-11-6-5-10(18)14(19)15(11)20)26-17(25)12-8-23-7-3-2-4-13(23)21-12/h2-9H,1H3,(H,22,24)/t9-/m1/s1
InChIKeyRPLQGYIZXYUTMF-SECBINFHSA-N
XLogP2.94
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226287
[(2S)-1-(2,3-dichloroanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246853
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246982
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226286
[1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] quinoline-2-carboxylate
CID 46790445
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-hydroxybenzoate
CID 7484915
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246945
[(2S)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950106
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246964
1-O-methyl 4-O-[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] benzene-1,4-dicarboxylate
CID 7296578
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7226254

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate (CID 7246973) is [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is C[C@@H](OC(=O)c1cn2ccccc2n1)C(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is RPLQGYIZXYUTMF-SECBINFHSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c1-9(16(24)22-11-6-5-10(18)14(19)15(11)20)26-17(25)12-8-23-7-3-2-4-13(23)21-12/h2-9H,1H3,(H,22,24)/t9-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate?
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 363.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 7246973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).