2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate

C70H76BrF9N12O11 — CID 165064320

IUPAC2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)CBr)C1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CNC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H27F3N4O4.C20H19F3N4O2.C15H14F3N3O2.C10H16BrNO3/c1-5-35-20-10-22-30-18(16-12-32(13-16)23(34)36-24(2,3)4)14-31(22)11-15(20)9-19(33)17-7-6-8-21(29-17)25(26,27)28;1-2-29-17-7-19-26-15(13-8-24-9-13)11-27(19)10-12(17)6-16(28)14-4-3-5-18(25-14)20(21,22)23;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h6-8,10-11,14,16H,5,9,12-13H2,1-4H3;3-5,7,10-11,13,24H,2,6,8-9H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);7H,4-6H2,1-3H3
InChIKeyRSIWZQUSBXGHMH-UHFFFAOYSA-N
MW1512.34 g/mol
LogP12.88
Rot. Bonds19

About 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate

2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate (PubChem CID 165064320) has the molecular formula C70H76BrF9N12O11 and a molecular weight of 1512.34 g/mol. Its IUPAC name is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate.

Molecular Properties

Compound Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate
PubChem CID165064320
Molecular FormulaC70H76BrF9N12O11
Molecular Weight1512.34 g/mol
Exact Mass1510.48
IUPAC Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(=O)CBr)C1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CNC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H27F3N4O4.C20H19F3N4O2.C15H14F3N3O2.C10H16BrNO3/c1-5-35-20-10-22-30-18(16-12-32(13-16)23(34)36-24(2,3)4)14-31(22)11-15(20)9-19(33)17-7-6-8-21(29-17)25(26,27)28;1-2-29-17-7-19-26-15(13-8-24-9-13)11-27(19)10-12(17)6-16(28)14-4-3-5-18(25-14)20(21,22)23;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h6-8,10-11,14,16H,5,9,12-13H2,1-4H3;3-5,7,10-11,13,24H,2,6,8-9H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);7H,4-6H2,1-3H3
InChIKeyRSIWZQUSBXGHMH-UHFFFAOYSA-N
XLogP12.88
TPSA279.26 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001512.34
LogP ≤ 512.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate?
The IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate (CID 165064320) is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate.
What is the SMILES notation for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate?
The canonical SMILES for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(=O)CBr)C1.CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CN(C(=O)OC(C)(C)C)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CNC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate?
The InChIKey is RSIWZQUSBXGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O4.C20H19F3N4O2.C15H14F3N3O2.C10H16BrNO3/c1-5-35-20-10-22-30-18(16-12-32(13-16)23(34)36-24(2,3)4)14-31(22)11-15(20)9-19(33)17-7-6-8-21(29-17)25(26,27)28;1-2-29-17-7-19-26-15(13-8-24-9-13)11-27(19)10-12(17)6-16(28)14-4-3-5-18(25-14)20(21,22)23;1-2-23-12-7-14(19)20-8-9(12)6-11(22)10-4-3-5-13(21-10)15(16,17)18;1-10(2,3)15-9(14)12-5-7(6-12)8(13)4-11/h6-8,10-11,14,16H,5,9,12-13H2,1-4H3;3-5,7,10-11,13,24H,2,6,8-9H2,1H3;3-5,7-8H,2,6H2,1H3,(H2,19,20);7H,4-6H2,1-3H3.
What are the key properties of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate?
2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate has a molecular weight of 1512.34 g/mol, XLogP of 12.88, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;2-[2-(azetidin-3-yl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone;tert-butyl 3-(2-bromoacetyl)azetidine-1-carboxylate;tert-butyl 3-[7-ethoxy-6-[2-oxo-2-[6-(trifluoromethyl)-2-pyridinyl]ethyl]imidazo[1,2-a]pyridin-2-yl]azetidine-1-carboxylate is sourced from PubChem (CID 165064320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).