2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

C62H66BrF6N9O12 — CID 165017032

IUPAC2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc(N)ncc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCCO)cn2cc1CC(=O)c1cccc(C(F)F)n1.COC(=O)CCC(=O)CBr
InChIInChI=1S/C21H21F2N3O4.C20H21F2N3O3.C15H15F2N3O2.C6H9BrO3/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23;1-2-28-18-10-19-23-14(5-4-8-26)12-25(19)11-13(18)9-17(27)15-6-3-7-16(24-15)20(21)22;1-2-22-13-7-14(18)19-8-9(13)6-12(21)10-4-3-5-11(20-10)15(16)17;1-10-6(9)3-2-5(8)4-7/h4-6,10-12,21H,3,7-9H2,1-2H3;3,6-7,10-12,20,26H,2,4-5,8-9H2,1H3;3-5,7-8,15H,2,6H2,1H3,(H2,18,19);2-4H2,1H3
InChIKeyKOVUBCWHQMDDDB-UHFFFAOYSA-N
MW1323.15 g/mol
LogP10.74
Rot. Bonds28

About 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate

2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (PubChem CID 165017032) has the molecular formula C62H66BrF6N9O12 and a molecular weight of 1323.15 g/mol. Its IUPAC name is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.

Molecular Properties

Compound Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
PubChem CID165017032
Molecular FormulaC62H66BrF6N9O12
Molecular Weight1323.15 g/mol
Exact Mass1321.39
IUPAC Name2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
SMILESCCOc1cc(N)ncc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCCO)cn2cc1CC(=O)c1cccc(C(F)F)n1.COC(=O)CCC(=O)CBr
InChIInChI=1S/C21H21F2N3O4.C20H21F2N3O3.C15H15F2N3O2.C6H9BrO3/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23;1-2-28-18-10-19-23-14(5-4-8-26)12-25(19)11-13(18)9-17(27)15-6-3-7-16(24-15)20(21)22;1-2-22-13-7-14(18)19-8-9(13)6-12(21)10-4-3-5-11(20-10)15(16)17;1-10-6(9)3-2-5(8)4-7/h4-6,10-12,21H,3,7-9H2,1-2H3;3,6-7,10-12,20,26H,2,4-5,8-9H2,1H3;3-5,7-8,15H,2,6H2,1H3,(H2,18,19);2-4H2,1H3
InChIKeyKOVUBCWHQMDDDB-UHFFFAOYSA-N
XLogP10.74
TPSA280.98 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001323.15
LogP ≤ 510.74
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-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The IUPAC name of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate (CID 165017032) is 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate.
What is the SMILES notation for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The canonical SMILES for 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is CCOc1cc(N)ncc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCC(=O)OC)cn2cc1CC(=O)c1cccc(C(F)F)n1.CCOc1cc2nc(CCCO)cn2cc1CC(=O)c1cccc(C(F)F)n1.COC(=O)CCC(=O)CBr.
What is the InChIKey of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
The InChIKey is KOVUBCWHQMDDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4.C20H21F2N3O3.C15H15F2N3O2.C6H9BrO3/c1-3-30-18-10-19-24-14(7-8-20(28)29-2)12-26(19)11-13(18)9-17(27)15-5-4-6-16(25-15)21(22)23;1-2-28-18-10-19-23-14(5-4-8-26)12-25(19)11-13(18)9-17(27)15-6-3-7-16(24-15)20(21)22;1-2-22-13-7-14(18)19-8-9(13)6-12(21)10-4-3-5-11(20-10)15(16)17;1-10-6(9)3-2-5(8)4-7/h4-6,10-12,21H,3,7-9H2,1-2H3;3,6-7,10-12,20,26H,2,4-5,8-9H2,1H3;3-5,7-8,15H,2,6H2,1H3,(H2,18,19);2-4H2,1H3.
What are the key properties of 2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate?
2-(6-amino-4-ethoxy-3-pyridinyl)-1-[6-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate has a molecular weight of 1323.15 g/mol, XLogP of 10.74, 28 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-(difluoromethyl)-2-pyridinyl]ethanone;1-[6-(difluoromethyl)-2-pyridinyl]-2-[7-ethoxy-2-(3-hydroxypropyl)imidazo[1,2-a]pyridin-6-yl]ethanone;methyl 5-bromo-4-oxopentanoate;methyl 3-[6-[2-[6-(difluoromethyl)-2-pyridinyl]-2-oxoethyl]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate is sourced from PubChem (CID 165017032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).