bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one

C111H106BBr2Cl3F9N27O5 — CID 157343733

About bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one

bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one (PubChem CID 157343733) has the molecular formula C111H106BBr2Cl3F9N27O5 and a molecular weight of 2346.21 g/mol. Its IUPAC name is bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

• Compound Name: bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one
• PubChem CID: 157343733
• Molecular Formula: C111H106BBr2Cl3F9N27O5
• Molecular Weight: 2346.21 g/mol
• Exact Mass: 2341.63
• IUPAC Name: bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one
• SMILES: CN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1ccc(F)cc1F.Cc1nc(Cl)c2c(Br)cn(C3CC3)c2n1.Cc1nc(Cl)c2cc[nH]c2n1.Cc1nc(Cl)c2ccn(C3CC3)c2n1.Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5F)N(C)C4=O)cc3F)cn(C3CC3)c2n1.Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5F)N(C)C4=O)cc3F)cn(C3CC3)c2n1.Cc1nc(N)c2c(Br)cn(C3CC3)c2n1
• InChI: InChI=1S/2C26H23F3N6O.C22H24BF3N2O3.C10H9BrClN3.C10H11BrN4.C10H10ClN3.C7H6ClN3/c2*1-13-31-24(30)23-19(11-34(15-4-5-15)25(23)32-13)17-8-6-16(10-21(17)29)35-12-22(33(2)26(35)36)18-7-3-14(27)9-20(18)28;1-21(2)22(3,4)31-23(30-21)16-9-7-14(11-18(16)26)28-12-19(27(5)20(28)29)15-8-6-13(24)10-17(15)25;2*1-5-13-9(12)8-7(11)4-15(6-2-3-6)10(8)14-5;1-6-12-9(11)8-4-5-14(7-2-3-7)10(8)13-6;1-4-10-6(8)5-2-3-9-7(5)11-4/h2*3,6-11,15,22H,4-5,12H2,1-2H3,(H2,30,31,32);6-11,19H,12H2,1-5H3;4,6H,2-3H2,1H3;4,6H,2-3H2,1H3,(H2,12,13,14);4-5,7H,2-3H2,1H3;2-3H,1H3,(H,9,10,11)
• InChIKey: BGRZGHVDRNTDTQ-UHFFFAOYSA-N
• XLogP: 25.28
• TPSA: 362.29 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2346.21
LogP ≤ 5	25.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one?

The IUPAC name of bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one (CID 157343733) is bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one.

What is the SMILES notation for bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one?

The canonical SMILES for bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)CC1c1ccc(F)cc1F.Cc1nc(Cl)c2c(Br)cn(C3CC3)c2n1.Cc1nc(Cl)c2cc[nH]c2n1.Cc1nc(Cl)c2ccn(C3CC3)c2n1.Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5F)N(C)C4=O)cc3F)cn(C3CC3)c2n1.Cc1nc(N)c2c(-c3ccc(N4CC(c5ccc(F)cc5F)N(C)C4=O)cc3F)cn(C3CC3)c2n1.Cc1nc(N)c2c(Br)cn(C3CC3)c2n1.

What is the InChIKey of bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one?

The InChIKey is BGRZGHVDRNTDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H23F3N6O.C22H24BF3N2O3.C10H9BrClN3.C10H11BrN4.C10H10ClN3.C7H6ClN3/c2*1-13-31-24(30)23-19(11-34(15-4-5-15)25(23)32-13)17-8-6-16(10-21(17)29)35-12-22(33(2)26(35)36)18-7-3-14(27)9-20(18)28;1-21(2)22(3,4)31-23(30-21)16-9-7-14(11-18(16)26)28-12-19(27(5)20(28)29)15-8-6-13(24)10-17(15)25;2*1-5-13-9(12)8-7(11)4-15(6-2-3-6)10(8)14-5;1-6-12-9(11)8-4-5-14(7-2-3-7)10(8)13-6;1-4-10-6(8)5-2-3-9-7(5)11-4/h2*3,6-11,15,22H,4-5,12H2,1-2H3,(H2,30,31,32);6-11,19H,12H2,1-5H3;4,6H,2-3H2,1H3;4,6H,2-3H2,1H3,(H2,12,13,14);4-5,7H,2-3H2,1H3;2-3H,1H3,(H,9,10,11).

What are the key properties of bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one?

bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one has a molecular weight of 2346.21 g/mol, XLogP of 25.28, 14 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-[4-(4-amino-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one);5-bromo-4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;5-bromo-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidin-4-amine;4-chloro-7-cyclopropyl-2-methylpyrrolo[2,3-d]pyrimidine;4-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-(2,4-difluorophenyl)-1-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 157343733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).