2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C86H85Br3F13N13O7 — CID 165006385

IUPAC2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N=C(c1ccccc1)c1ccccc1.O=C(CBr)C1CC(F)(F)C1
InChIInChI=1S/C26H23F2N3O.C21H18F5N3O2.C13H13BrF2N2O.C13H15F2N3O.C7H9BrN2O.C6H7BrF2O/c1-2-32-23-13-24-29-21(20-14-26(27,28)15-20)16-31(24)17-22(23)30-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-31-17-7-19-28-15(13-8-20(22,23)9-13)11-29(19)10-12(17)6-16(30)14-4-3-5-18(27-14)21(24,25)26;1-2-19-11-3-12-17-10(7-18(12)6-9(11)14)8-4-13(15,16)5-8;1-2-19-11-3-12-17-10(7-18(12)6-9(11)16)8-4-13(14,15)5-8;1-2-11-6-3-7(9)10-4-5(6)8;7-3-5(10)4-1-6(8,9)2-4/h3-13,16-17,20H,2,14-15H2,1H3;3-5,7,10-11,13H,2,6,8-9H2,1H3;3,6-8H,2,4-5H2,1H3;3,6-8H,2,4-5,16H2,1H3;3-4H,2H2,1H3,(H2,9,10);4H,1-3H2
InChIKeyJAHQFNKLAATHKQ-UHFFFAOYSA-N
MW1899.40 g/mol
LogP22.16
Rot. Bonds22

About 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165006385) has the molecular formula C86H85Br3F13N13O7 and a molecular weight of 1899.40 g/mol. Its IUPAC name is 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165006385
Molecular FormulaC86H85Br3F13N13O7
Molecular Weight1899.40 g/mol
Exact Mass1895.40
IUPAC Name2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N=C(c1ccccc1)c1ccccc1.O=C(CBr)C1CC(F)(F)C1
InChIInChI=1S/C26H23F2N3O.C21H18F5N3O2.C13H13BrF2N2O.C13H15F2N3O.C7H9BrN2O.C6H7BrF2O/c1-2-32-23-13-24-29-21(20-14-26(27,28)15-20)16-31(24)17-22(23)30-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-31-17-7-19-28-15(13-8-20(22,23)9-13)11-29(19)10-12(17)6-16(30)14-4-3-5-18(27-14)21(24,25)26;1-2-19-11-3-12-17-10(7-18(12)6-9(11)14)8-4-13(15,16)5-8;1-2-19-11-3-12-17-10(7-18(12)6-9(11)16)8-4-13(14,15)5-8;1-2-11-6-3-7(9)10-4-5(6)8;7-3-5(10)4-1-6(8,9)2-4/h3-13,16-17,20H,2,14-15H2,1H3;3-5,7,10-11,13H,2,6,8-9H2,1H3;3,6-8H,2,4-5H2,1H3;3,6-8H,2,4-5,16H2,1H3;3-4H,2H2,1H3,(H2,9,10);4H,1-3H2
InChIKeyJAHQFNKLAATHKQ-UHFFFAOYSA-N
XLogP22.16
TPSA239.67 Ų
H-Bond Donors2
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001899.40
LogP ≤ 522.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165006385) is 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc(N)ncc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1Br.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N.CCOc1cc2nc(C3CC(F)(F)C3)cn2cc1N=C(c1ccccc1)c1ccccc1.O=C(CBr)C1CC(F)(F)C1.
What is the InChIKey of 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is JAHQFNKLAATHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O.C21H18F5N3O2.C13H13BrF2N2O.C13H15F2N3O.C7H9BrN2O.C6H7BrF2O/c1-2-32-23-13-24-29-21(20-14-26(27,28)15-20)16-31(24)17-22(23)30-25(18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-2-31-17-7-19-28-15(13-8-20(22,23)9-13)11-29(19)10-12(17)6-16(30)14-4-3-5-18(27-14)21(24,25)26;1-2-19-11-3-12-17-10(7-18(12)6-9(11)14)8-4-13(15,16)5-8;1-2-19-11-3-12-17-10(7-18(12)6-9(11)16)8-4-13(14,15)5-8;1-2-11-6-3-7(9)10-4-5(6)8;7-3-5(10)4-1-6(8,9)2-4/h3-13,16-17,20H,2,14-15H2,1H3;3-5,7,10-11,13H,2,6,8-9H2,1H3;3,6-8H,2,4-5H2,1H3;3,6-8H,2,4-5,16H2,1H3;3-4H,2H2,1H3,(H2,9,10);4H,1-3H2.
What are the key properties of 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1899.40 g/mol, XLogP of 22.16, 22 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(3,3-difluorocyclobutyl)ethanone;6-bromo-2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridine;5-bromo-4-ethoxypyridin-2-amine;2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1,1-diphenylmethanimine;2-[2-(3,3-difluorocyclobutyl)-7-ethoxyimidazo[1,2-a]pyridin-6-yl]-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165006385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).