1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride

C111H115BBr4F15N17O9 — CID 158465628

About 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride (PubChem CID 158465628) has the molecular formula C111H115BBr4F15N17O9 and a molecular weight of 2448.66 g/mol. Its IUPAC name is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride.

Molecular Properties

• Compound Name: 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride
• PubChem CID: 158465628
• Molecular Formula: C111H115BBr4F15N17O9
• Molecular Weight: 2448.66 g/mol
• Exact Mass: 2443.57
• IUPAC Name: 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride
• SMILES: C.C.C.C.CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1cc(F)ccc1F.Cn1cc(Br)c2c(N)ncnc21.O=C1CC(c2cc(F)ccc2F)CN1c1ccc(Br)c(F)c1.[H][3H]
• InChI: InChI=1S/C24H21F3N6O.C23H26BF3N2O3.C20H18BrF3N2O3.C17H14BrF3N2O.C16H11BrF3NO.C7H7BrN4.4CH4.H2/c1-3-32-20(16-8-13(25)4-7-18(16)26)11-33(24(32)34)14-5-6-15(19(27)9-14)17-10-31(2)23-21(17)22(28)29-12-30-23;1-6-28-20(16-11-14(25)7-10-18(16)26)13-29(21(28)30)15-8-9-17(19(27)12-15)24-31-22(2,3)23(4,5)32-24;1-20(2,3)29-19(28)26-17(13-8-11(22)4-7-15(13)23)10-25(18(26)27)12-5-6-14(21)16(24)9-12;1-2-22-16(12-7-10(19)3-6-14(12)20)9-23(17(22)24)11-4-5-13(18)15(21)8-11;17-13-3-2-11(7-15(13)20)21-8-9(5-16(21)22)12-6-10(18)1-4-14(12)19;1-12-2-4(8)5-6(9)10-3-11-7(5)12;;;;;/h4-10,12,20H,3,11H2,1-2H3,(H2,28,29,30);7-12,20H,6,13H2,1-5H3;4-9,17H,10H2,1-3H3;3-8,16H,2,9H2,1H3;1-4,6-7,9H,5,8H2;2-3H,1H3,(H2,9,10,11);4*1H4;1H/i;;;;;;;;;;1+2
• InChIKey: HFSGLQVQGAEOEY-HMPSIPNYSA-N
• XLogP: 28.19
• TPSA: 272.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2448.66
LogP ≤ 5	28.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride?

The IUPAC name of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride (CID 158465628) is 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride.

What is the SMILES notation for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride?

The canonical SMILES for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride is C.C.C.C.CC(C)(C)OC(=O)N1C(=O)N(c2ccc(Br)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(-c3cn(C)c4ncnc(N)c34)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1cc(F)ccc1F.CCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1cc(F)ccc1F.Cn1cc(Br)c2c(N)ncnc21.O=C1CC(c2cc(F)ccc2F)CN1c1ccc(Br)c(F)c1.[H][3H].

What is the InChIKey of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride?

The InChIKey is HFSGLQVQGAEOEY-HMPSIPNYSA-N. The full InChI is InChI=1S/C24H21F3N6O.C23H26BF3N2O3.C20H18BrF3N2O3.C17H14BrF3N2O.C16H11BrF3NO.C7H7BrN4.4CH4.H2/c1-3-32-20(16-8-13(25)4-7-18(16)26)11-33(24(32)34)14-5-6-15(19(27)9-14)17-10-31(2)23-21(17)22(28)29-12-30-23;1-6-28-20(16-11-14(25)7-10-18(16)26)13-29(21(28)30)15-8-9-17(19(27)12-15)24-31-22(2,3)23(4,5)32-24;1-20(2,3)29-19(28)26-17(13-8-11(22)4-7-15(13)23)10-25(18(26)27)12-5-6-14(21)16(24)9-12;1-2-22-16(12-7-10(19)3-6-14(12)20)9-23(17(22)24)11-4-5-13(18)15(21)8-11;17-13-3-2-11(7-15(13)20)21-8-9(5-16(21)22)12-6-10(18)1-4-14(12)19;1-12-2-4(8)5-6(9)10-3-11-7(5)12;;;;;/h4-10,12,20H,3,11H2,1-2H3,(H2,28,29,30);7-12,20H,6,13H2,1-5H3;4-9,17H,10H2,1-3H3;3-8,16H,2,9H2,1H3;1-4,6-7,9H,5,8H2;2-3H,1H3,(H2,9,10,11);4*1H4;1H/i;;;;;;;;;;1+2.

What are the key properties of 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride?

1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride has a molecular weight of 2448.66 g/mol, XLogP of 28.19, 15 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)-3-ethylimidazolidin-2-one;1-(4-bromo-3-fluorophenyl)-4-(2,5-difluorophenyl)pyrrolidin-2-one;5-bromo-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;tert-butyl 3-(4-bromo-3-fluorophenyl)-5-(2,5-difluorophenyl)-2-oxoimidazolidine-1-carboxylate;4-(2,5-difluorophenyl)-3-ethyl-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]imidazolidin-2-one;methane;tritium monohydride is sourced from PubChem (CID 158465628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).