methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide — IUPAC name, SMILES, InChIKey & properties

Name: methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide

methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 160993705) has the molecular formula C53H37F12N17O10 and a molecular weight of 1299.96 g/mol. Its IUPAC name is methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name	methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID	160993705
Molecular Formula	C53H37F12N17O10
Molecular Weight	1299.96 g/mol
Exact Mass	1299.27
IUPAC Name	methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide
SMILES	COC(=O)c1ccc2nc(NC(=O)C(F)(F)F)cn2c1.Nc1cn2cc(-c3cnco3)ccc2n1.O=C(Nc1cn2cc(-c3cnco3)ccc2n1)C(F)(F)F.O=C(Nc1cn2cc(CO)ccc2n1)C(F)(F)F.O=Cc1ccc2nc(NC(=O)C(F)(F)F)cn2c1
InChI	InChI=1S/C12H7F3N4O2.C11H8F3N3O3.C10H8F3N3O2.C10H6F3N3O2.C10H8N4O/c13-12(14,15)11(20)18-9-5-19-4-7(1-2-10(19)17-9)8-3-16-6-21-8;1-20-9(18)6-2-3-8-15-7(5-17(8)4-6)16-10(19)11(12,13)14;2*11-10(12,13)9(18)15-7-4-16-3-6(5-17)1-2-8(16)14-7;11-9-5-14-4-7(1-2-10(14)13-9)8-3-12-6-15-8/h1-6H,(H,18,20);2-5H,1H3,(H,16,19);1-4,17H,5H2,(H,15,18);1-5H,(H,15,18);1-6H,11H2
InChIKey	TUYSGCXUIXRPJX-UHFFFAOYSA-N
XLogP	8.66
TPSA	344.58 Å²
H-Bond Donors	6
H-Bond Acceptors	23
Rotatable Bonds	9
Heavy Atoms	92
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1299.96
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Analyze methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The IUPAC name of methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide (CID 160993705) is methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide.

What is the SMILES notation for methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The canonical SMILES for methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is COC(=O)c1ccc2nc(NC(=O)C(F)(F)F)cn2c1.Nc1cn2cc(-c3cnco3)ccc2n1.O=C(Nc1cn2cc(-c3cnco3)ccc2n1)C(F)(F)F.O=C(Nc1cn2cc(CO)ccc2n1)C(F)(F)F.O=Cc1ccc2nc(NC(=O)C(F)(F)F)cn2c1.

What is the InChIKey of methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

The InChIKey is TUYSGCXUIXRPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2.C11H8F3N3O3.C10H8F3N3O2.C10H6F3N3O2.C10H8N4O/c13-12(14,15)11(20)18-9-5-19-4-7(1-2-10(19)17-9)8-3-16-6-21-8;1-20-9(18)6-2-3-8-15-7(5-17(8)4-6)16-10(19)11(12,13)14;2*11-10(12,13)9(18)15-7-4-16-3-6(5-17)1-2-8(16)14-7;11-9-5-14-4-7(1-2-10(14)13-9)8-3-12-6-15-8/h1-6H,(H,18,20);2-5H,1H3,(H,16,19);1-4,17H,5H2,(H,15,18);1-5H,(H,15,18);1-6H,11H2.

What are the key properties of methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide?

Where does this data come from?

All data for methyl 2-[(2,2,2-trifluoroacetyl)amino]imidazo[1,2-a]pyridine-6-carboxylate;6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-amine;2,2,2-trifluoro-N-(6-formylimidazo[1,2-a]pyridin-2-yl)acetamide;2,2,2-trifluoro-N-[6-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]acetamide;2,2,2-trifluoro-N-[6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 160993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).