6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone

C69H69BrF3N11O5 — CID 165028821

IUPAC6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C3CC3)cn2cc1Br.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC3)cn2cc1N.CCOc1cc2nc(C3CC3)cn2cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O.C20H18F3N3O2.C12H13BrN2O.C12H15N3O/c1-2-29-23-15-24-26-21(18-13-14-18)16-28(24)17-22(23)27-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-28-17-9-19-25-15(12-6-7-12)11-26(19)10-13(17)8-16(27)14-4-3-5-18(24-14)20(21,22)23;2*1-2-16-11-5-12-14-10(8-3-4-8)7-15(12)6-9(11)13/h3-12,15-18H,2,13-14H2,1H3;3-5,9-12H,2,6-8H2,1H3;5-8H,2-4H2,1H3;5-8H,2-4,13H2,1H3
InChIKeyMHWWGNROJLVSSO-UHFFFAOYSA-N
MW1269.28 g/mol
LogP15.79
Rot. Bonds18

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

6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 165028821) has the molecular formula C69H69BrF3N11O5 and a molecular weight of 1269.28 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID165028821
Molecular FormulaC69H69BrF3N11O5
Molecular Weight1269.28 g/mol
Exact Mass1267.46
IUPAC Name6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCCOc1cc2nc(C3CC3)cn2cc1Br.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC3)cn2cc1N.CCOc1cc2nc(C3CC3)cn2cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23N3O.C20H18F3N3O2.C12H13BrN2O.C12H15N3O/c1-2-29-23-15-24-26-21(18-13-14-18)16-28(24)17-22(23)27-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-28-17-9-19-25-15(12-6-7-12)11-26(19)10-13(17)8-16(27)14-4-3-5-18(24-14)20(21,22)23;2*1-2-16-11-5-12-14-10(8-3-4-8)7-15(12)6-9(11)13/h3-12,15-18H,2,13-14H2,1H3;3-5,9-12H,2,6-8H2,1H3;5-8H,2-4H2,1H3;5-8H,2-4,13H2,1H3
InChIKeyMHWWGNROJLVSSO-UHFFFAOYSA-N
XLogP15.79
TPSA174.46 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms89
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001269.28
LogP ≤ 515.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-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 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone (CID 165028821) is 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is CCOc1cc2nc(C3CC3)cn2cc1Br.CCOc1cc2nc(C3CC3)cn2cc1CC(=O)c1cccc(C(F)(F)F)n1.CCOc1cc2nc(C3CC3)cn2cc1N.CCOc1cc2nc(C3CC3)cn2cc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is MHWWGNROJLVSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O.C20H18F3N3O2.C12H13BrN2O.C12H15N3O/c1-2-29-23-15-24-26-21(18-13-14-18)16-28(24)17-22(23)27-25(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-2-28-17-9-19-25-15(12-6-7-12)11-26(19)10-13(17)8-16(27)14-4-3-5-18(24-14)20(21,22)23;2*1-2-16-11-5-12-14-10(8-3-4-8)7-15(12)6-9(11)13/h3-12,15-18H,2,13-14H2,1H3;3-5,9-12H,2,6-8H2,1H3;5-8H,2-4H2,1H3;5-8H,2-4,13H2,1H3.
What are the key properties of 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone?
6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 1269.28 g/mol, XLogP of 15.79, 18 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridine;2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-amine;N-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1,1-diphenylmethanimine;2-(2-cyclopropyl-7-ethoxyimidazo[1,2-a]pyridin-6-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 165028821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).