5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

C93H111Br3N14O21Si3 — CID 162179855

IUPAC5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)c(=O)n(COCC[Si](C)(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C(=O)Cc3c[nH]c(=O)c(C)c3)NC(=O)NC1=O)C2.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C
InChIInChI=1S/C27H32N4O6Si.C21H20N4O6.C15H13N3O4.2C12H20BrNO2Si.C6H6BrNO/c1-18-12-19(14-31(23(18)32)17-37-10-11-38(3,4)5)8-9-27(25(34)28-26(35)29-27)16-30-15-20-6-7-21(36-2)13-22(20)24(30)33;1-11-5-12(8-22-17(11)27)6-16(26)21(19(29)23-20(30)24-21)10-25-9-13-3-4-14(31-2)7-15(13)18(25)28;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;2*1-10-7-11(13)8-14-12(10)16-9-15-5-6-17(2,3)4;1-4-2-5(7)3-8-6(4)9/h6-7,12-14H,10-11,15-17H2,1-5H3,(H2,28,29,34,35);3-5,7-8H,6,9-10H2,1-2H3,(H,22,27)(H2,23,24,29,30);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2*7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,8,9)/t27-;21-;15-;;;/m101.../s1
InChIKeyZOWKACXYRNDNKT-SKUPLBITSA-N
MW2084.96 g/mol
LogP11.10
Rot. Bonds29

About 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione

5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (PubChem CID 162179855) has the molecular formula C93H111Br3N14O21Si3 and a molecular weight of 2084.96 g/mol. Its IUPAC name is 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
PubChem CID162179855
Molecular FormulaC93H111Br3N14O21Si3
Molecular Weight2084.96 g/mol
Exact Mass2080.49
IUPAC Name5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione
SMILESC#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)c(=O)n(COCC[Si](C)(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C(=O)Cc3c[nH]c(=O)c(C)c3)NC(=O)NC1=O)C2.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C
InChIInChI=1S/C27H32N4O6Si.C21H20N4O6.C15H13N3O4.2C12H20BrNO2Si.C6H6BrNO/c1-18-12-19(14-31(23(18)32)17-37-10-11-38(3,4)5)8-9-27(25(34)28-26(35)29-27)16-30-15-20-6-7-21(36-2)13-22(20)24(30)33;1-11-5-12(8-22-17(11)27)6-16(26)21(19(29)23-20(30)24-21)10-25-9-13-3-4-14(31-2)7-15(13)18(25)28;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;2*1-10-7-11(13)8-14-12(10)16-9-15-5-6-17(2,3)4;1-4-2-5(7)3-8-6(4)9/h6-7,12-14H,10-11,15-17H2,1-5H3,(H2,28,29,34,35);3-5,7-8H,6,9-10H2,1-2H3,(H,22,27)(H2,23,24,29,30);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2*7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,8,9)/t27-;21-;15-;;;/m101.../s1
InChIKeyZOWKACXYRNDNKT-SKUPLBITSA-N
XLogP11.10
TPSA439.94 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds29
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002084.96
LogP ≤ 511.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The IUPAC name of 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione (CID 162179855) is 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is C#C[C@]1(CN2Cc3ccc(OC)cc3C2=O)NC(=O)NC1=O.COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cc(C)c(=O)n(COCC[Si](C)(C)C)c3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(C(=O)Cc3c[nH]c(=O)c(C)c3)NC(=O)NC1=O)C2.Cc1cc(Br)c[nH]c1=O.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C.Cc1cc(Br)cnc1OCOCC[Si](C)(C)C.
What is the InChIKey of 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
The InChIKey is ZOWKACXYRNDNKT-SKUPLBITSA-N. The full InChI is InChI=1S/C27H32N4O6Si.C21H20N4O6.C15H13N3O4.2C12H20BrNO2Si.C6H6BrNO/c1-18-12-19(14-31(23(18)32)17-37-10-11-38(3,4)5)8-9-27(25(34)28-26(35)29-27)16-30-15-20-6-7-21(36-2)13-22(20)24(30)33;1-11-5-12(8-22-17(11)27)6-16(26)21(19(29)23-20(30)24-21)10-25-9-13-3-4-14(31-2)7-15(13)18(25)28;1-3-15(13(20)16-14(21)17-15)8-18-7-9-4-5-10(22-2)6-11(9)12(18)19;2*1-10-7-11(13)8-14-12(10)16-9-15-5-6-17(2,3)4;1-4-2-5(7)3-8-6(4)9/h6-7,12-14H,10-11,15-17H2,1-5H3,(H2,28,29,34,35);3-5,7-8H,6,9-10H2,1-2H3,(H,22,27)(H2,23,24,29,30);1,4-6H,7-8H2,2H3,(H2,16,17,20,21);2*7-8H,5-6,9H2,1-4H3;2-3H,1H3,(H,8,9)/t27-;21-;15-;;;/m101.../s1.
What are the key properties of 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione?
5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione has a molecular weight of 2084.96 g/mol, XLogP of 11.10, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-1H-pyridin-2-one;bis(2-[(5-bromo-3-methyl-2-pyridinyl)oxymethoxy]ethyl-trimethylsilane);(5R)-5-ethynyl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-(5-methyl-6-oxo-1H-pyridin-3-yl)acetyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-methyl-6-oxo-1-(2-trimethylsilylethoxymethyl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione is sourced from PubChem (CID 162179855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).