1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

C146H151B2Br2F9N6O22 — CID 162240583

About 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate

1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 162240583) has the molecular formula C146H151B2Br2F9N6O22 and a molecular weight of 2694.25 g/mol. Its IUPAC name is 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

• Compound Name: 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• PubChem CID: 162240583
• Molecular Formula: C146H151B2Br2F9N6O22
• Molecular Weight: 2694.25 g/mol
• Exact Mass: 2690.93
• IUPAC Name: 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate
• SMILES: CC(C)(C)OC(C(=O)O)c1c(C(F)(F)F)ccc(-c2ccc(=O)n(Cc3ccccc3)c2)c1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc(=O)n(Cc3ccccc3)c2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(Cc3ccccc3)c2)OC1(C)C.COC(=O)C(OC(C)(C)C)c1c(C(F)(F)F)ccc(-c2ccc(=O)n(Cc3ccccc3)c2)c1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1c(C(F)(F)F)ccc(C)c1-c1ccc2c(c1)CCCO2.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1Cc1ccccc1
• InChI: InChI=1S/C35H34F3NO5.C34H32F3NO5.C24H27F3O4.2C18H22BNO3.C12H10BrNO.C5H4BrNO/c1-34(2,3)44-32(33(41)42-4)31-27(35(36,37)38)15-14-26(30(31)24-12-16-28-23(19-24)11-8-18-43-28)25-13-17-29(40)39(21-25)20-22-9-6-5-7-10-22;1-33(2,3)43-31(32(40)41)30-26(34(35,36)37)14-13-25(29(30)23-11-15-27-22(18-23)10-7-17-42-27)24-12-16-28(39)38(20-24)19-21-8-5-4-6-9-21;1-14-8-10-17(24(25,26)27)20(21(22(28)29-5)31-23(2,3)4)19(14)16-9-11-18-15(13-16)7-6-12-30-18;2*1-17(2)18(3,4)23-19(22-17)15-10-11-16(21)20(13-15)12-14-8-6-5-7-9-14;13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10;6-4-1-2-5(8)7-3-4/h5-7,9-10,12-17,19,21,32H,8,11,18,20H2,1-4H3;4-6,8-9,11-16,18,20,31H,7,10,17,19H2,1-3H3,(H,40,41);8-11,13,21H,6-7,12H2,1-5H3;2*5-11,13H,12H2,1-4H3;1-7,9H,8H2;1-3H,(H,7,8)
• InChIKey: ZWQLKUVKFKCPHD-UHFFFAOYSA-N
• XLogP: 29.34
• TPSA: 325.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2694.25
LogP ≤ 5	29.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The IUPAC name of 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 162240583) is 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate.

What is the SMILES notation for 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The canonical SMILES for 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is CC(C)(C)OC(C(=O)O)c1c(C(F)(F)F)ccc(-c2ccc(=O)n(Cc3ccccc3)c2)c1-c1ccc2c(c1)CCCO2.CC1(C)OB(c2ccc(=O)n(Cc3ccccc3)c2)OC1(C)C.CC1(C)OB(c2ccc(=O)n(Cc3ccccc3)c2)OC1(C)C.COC(=O)C(OC(C)(C)C)c1c(C(F)(F)F)ccc(-c2ccc(=O)n(Cc3ccccc3)c2)c1-c1ccc2c(c1)CCCO2.COC(=O)C(OC(C)(C)C)c1c(C(F)(F)F)ccc(C)c1-c1ccc2c(c1)CCCO2.O=c1ccc(Br)c[nH]1.O=c1ccc(Br)cn1Cc1ccccc1.

What is the InChIKey of 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

The InChIKey is ZWQLKUVKFKCPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34F3NO5.C34H32F3NO5.C24H27F3O4.2C18H22BNO3.C12H10BrNO.C5H4BrNO/c1-34(2,3)44-32(33(41)42-4)31-27(35(36,37)38)15-14-26(30(31)24-12-16-28-23(19-24)11-8-18-43-28)25-13-17-29(40)39(21-25)20-22-9-6-5-7-10-22;1-33(2,3)43-31(32(40)41)30-26(34(35,36)37)14-13-25(29(30)23-11-15-27-22(18-23)10-7-17-42-27)24-12-16-28(39)38(20-24)19-21-8-5-4-6-9-21;1-14-8-10-17(24(25,26)27)20(21(22(28)29-5)31-23(2,3)4)19(14)16-9-11-18-15(13-16)7-6-12-30-18;2*1-17(2)18(3,4)23-19(22-17)15-10-11-16(21)20(13-15)12-14-8-6-5-7-9-14;13-11-6-7-12(15)14(9-11)8-10-4-2-1-3-5-10;6-4-1-2-5(8)7-3-4/h5-7,9-10,12-17,19,21,32H,8,11,18,20H2,1-4H3;4-6,8-9,11-16,18,20,31H,7,10,17,19H2,1-3H3,(H,40,41);8-11,13,21H,6-7,12H2,1-5H3;2*5-11,13H,12H2,1-4H3;1-7,9H,8H2;1-3H,(H,7,8).

What are the key properties of 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate?

1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 2694.25 g/mol, XLogP of 29.34, 26 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-5-bromopyridin-2-one;2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;bis(1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one);5-bromo-1H-pyridin-2-one;methyl 2-[3-(1-benzyl-6-oxo-3-pyridinyl)-2-(3,4-dihydro-2H-chromen-6-yl)-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate;methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)-3-methyl-6-(trifluoromethyl)phenyl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 162240583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).