[6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane

C114H126BBr2ClF8IN29O6 — CID 157303877

About [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane

[6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane (PubChem CID 157303877) has the molecular formula C114H126BBr2ClF8IN29O6 and a molecular weight of 2483.42 g/mol. Its IUPAC name is [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane.

Molecular Properties

• Compound Name: [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane
• PubChem CID: 157303877
• Molecular Formula: C114H126BBr2ClF8IN29O6
• Molecular Weight: 2483.42 g/mol
• Exact Mass: 2479.75
• IUPAC Name: [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane
• SMILES: Brc1ccc(-c2cn[nH]c2)cc1.C.C.C.C.C.C.CI.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(N)n3)cc21.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4nccc(N)n4)n3)cc21.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1cc(-c2ccc(Br)cc2)cn1.Cn1cc(-c2ccc(Nc3ccnc(-c4ccc5cc(C(=O)N6CC(F)(F)C6)n(C)c5c4)n3)cc2)cn1.Nc1ccnc(Cl)n1
• InChI: InChI=1S/C27H23F2N7O.C21H18F2N8O.C19H23BF2N2O3.C17H15F2N5O.C10H9BrN2.C9H7BrN2.C4H4ClN3.CH3I.6CH4/c1-34-14-20(13-31-34)17-5-7-21(8-6-17)32-24-9-10-30-25(33-24)19-4-3-18-11-23(35(2)22(18)12-19)26(37)36-15-27(28,29)16-36;1-30-14-9-13(3-2-12(14)8-15(30)19(32)31-10-21(22,23)11-31)18-25-7-5-17(28-18)29-20-26-6-4-16(24)27-20;1-17(2)18(3,4)27-20(26-17)13-7-6-12-8-15(23(5)14(12)9-13)16(25)24-10-19(21,22)11-24;1-23-12-7-11(15-21-5-4-14(20)22-15)3-2-10(12)6-13(23)16(25)24-8-17(18,19)9-24;1-13-7-9(6-12-13)8-2-4-10(11)5-3-8;10-9-3-1-7(2-4-9)8-5-11-12-6-8;5-4-7-2-1-3(6)8-4;1-2;;;;;;/h3-14H,15-16H2,1-2H3,(H,30,32,33);2-9H,10-11H2,1H3,(H3,24,25,26,27,28,29);6-9H,10-11H2,1-5H3;2-7H,8-9H2,1H3,(H2,20,21,22);2-7H,1H3;1-6H,(H,11,12);1-2H,(H2,6,7,8);1H3;6*1H4
• InChIKey: BCFJBNVXRWPKTE-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 414.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2483.42
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane?

The IUPAC name of [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane (CID 157303877) is [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane.

What is the SMILES notation for [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane?

The canonical SMILES for [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane is Brc1ccc(-c2cn[nH]c2)cc1.C.C.C.C.C.C.CI.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(N)n3)cc21.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(-c3nccc(Nc4nccc(N)n4)n3)cc21.Cn1c(C(=O)N2CC(F)(F)C2)cc2ccc(B3OC(C)(C)C(C)(C)O3)cc21.Cn1cc(-c2ccc(Br)cc2)cn1.Cn1cc(-c2ccc(Nc3ccnc(-c4ccc5cc(C(=O)N6CC(F)(F)C6)n(C)c5c4)n3)cc2)cn1.Nc1ccnc(Cl)n1.

What is the InChIKey of [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane?

The InChIKey is BCFJBNVXRWPKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F2N7O.C21H18F2N8O.C19H23BF2N2O3.C17H15F2N5O.C10H9BrN2.C9H7BrN2.C4H4ClN3.CH3I.6CH4/c1-34-14-20(13-31-34)17-5-7-21(8-6-17)32-24-9-10-30-25(33-24)19-4-3-18-11-23(35(2)22(18)12-19)26(37)36-15-27(28,29)16-36;1-30-14-9-13(3-2-12(14)8-15(30)19(32)31-10-21(22,23)11-31)18-25-7-5-17(28-18)29-20-26-6-4-16(24)27-20;1-17(2)18(3,4)27-20(26-17)13-7-6-12-8-15(23(5)14(12)9-13)16(25)24-10-19(21,22)11-24;1-23-12-7-11(15-21-5-4-14(20)22-15)3-2-10(12)6-13(23)16(25)24-8-17(18,19)9-24;1-13-7-9(6-12-13)8-2-4-10(11)5-3-8;10-9-3-1-7(2-4-9)8-5-11-12-6-8;5-4-7-2-1-3(6)8-4;1-2;;;;;;/h3-14H,15-16H2,1-2H3,(H,30,32,33);2-9H,10-11H2,1H3,(H3,24,25,26,27,28,29);6-9H,10-11H2,1-5H3;2-7H,8-9H2,1H3,(H2,20,21,22);2-7H,1H3;1-6H,(H,11,12);1-2H,(H2,6,7,8);1H3;6*1H4.

What are the key properties of [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane?

[6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane has a molecular weight of 2483.42 g/mol, XLogP of 23.86, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[4-[(4-aminopyrimidin-2-yl)amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;[6-(4-aminopyrimidin-2-yl)-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone;4-(4-bromophenyl)-1-methylpyrazole;4-(4-bromophenyl)-1H-pyrazole;2-chloropyrimidin-4-amine;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-[4-[4-(1-methylpyrazol-4-yl)anilino]pyrimidin-2-yl]indol-2-yl]methanone;(3,3-difluoroazetidin-1-yl)-[1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-yl]methanone;iodomethane;methane is sourced from PubChem (CID 157303877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).