(E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one

C176H197BrClFN44O6 — CID 159294274

About (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one

(E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (PubChem CID 159294274) has the molecular formula C176H197BrClFN44O6 and a molecular weight of 3159.17 g/mol. Its IUPAC name is (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one.

Molecular Properties

• Compound Name: (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one
• PubChem CID: 159294274
• Molecular Formula: C176H197BrClFN44O6
• Molecular Weight: 3159.17 g/mol
• Exact Mass: 3155.53
• IUPAC Name: (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one
• SMILES: CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(Br)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(F)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Cl)c23)c1.Cc1[nH]nc2nc(Nc3cccc(N4CCCCC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.[C-]#[N+]c1[nH]nc2nc(Nc3cccc(N4CCCCC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12
• InChI: InChI=1S/C30H32N8O.C30H35N7O.C29H32BrN7O.C29H33ClN8O.C29H32FN7O.C29H33N7O/c1-31-28-26-27(22-11-7-10-21(18-22)19-25(39)14-9-15-37(2)3)33-30(34-29(26)36-35-28)32-23-12-8-13-24(20-23)38-16-5-4-6-17-38;1-21-27-28(23-11-7-10-22(18-23)19-26(38)14-9-15-36(2)3)32-30(33-29(27)35-34-21)31-24-12-8-13-25(20-24)37-16-5-4-6-17-37;1-36(2)14-8-13-24(38)18-20-9-6-10-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-11-7-12-23(19-22)37-15-4-3-5-16-37;1-36(2)12-6-11-24(39)18-20-7-4-8-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-9-5-10-23(19-22)38-15-13-37(3)14-16-38;1-36(2)14-8-13-24(38)18-20-9-6-10-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-11-7-12-23(19-22)37-15-4-3-5-16-37;1-35(2)14-8-13-25(37)18-21-9-6-10-22(17-21)27-26-20-30-34-28(26)33-29(32-27)31-23-11-7-12-24(19-23)36-15-4-3-5-16-36/h7-14,18,20H,4-6,15-17,19H2,2-3H3,(H2,32,33,34,35,36);7-14,18,20H,4-6,15-17,19H2,1-3H3,(H2,31,32,33,34,35);6-13,17,19H,3-5,14-16,18H2,1-2H3,(H2,31,32,33,34,35);4-11,17,19H,12-16,18H2,1-3H3,(H2,31,32,33,34,35);6-13,17,19H,3-5,14-16,18H2,1-2H3,(H2,31,32,33,34,35);6-13,17,19-20H,3-5,14-16,18H2,1-2H3,(H2,30,31,32,33,34)/b2*14-9+;13-8+;11-6+;2*13-8+
• InChIKey: LANBKNVMVWHKRE-FIBJIXRUSA-N
• XLogP: 31.07
• TPSA: 547.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 43
• Rotatable Bonds: 54
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3159.17
LogP ≤ 5	31.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one?

The IUPAC name of (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (CID 159294274) is (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one.

What is the SMILES notation for (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one?

The canonical SMILES for (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one is CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(Br)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(F)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Cl)c23)c1.Cc1[nH]nc2nc(Nc3cccc(N4CCCCC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.[C-]#[N+]c1[nH]nc2nc(Nc3cccc(N4CCCCC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.

What is the InChIKey of (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one?

The InChIKey is LANBKNVMVWHKRE-FIBJIXRUSA-N. The full InChI is InChI=1S/C30H32N8O.C30H35N7O.C29H32BrN7O.C29H33ClN8O.C29H32FN7O.C29H33N7O/c1-31-28-26-27(22-11-7-10-21(18-22)19-25(39)14-9-15-37(2)3)33-30(34-29(26)36-35-28)32-23-12-8-13-24(20-23)38-16-5-4-6-17-38;1-21-27-28(23-11-7-10-22(18-23)19-26(38)14-9-15-36(2)3)32-30(33-29(27)35-34-21)31-24-12-8-13-25(20-24)37-16-5-4-6-17-37;1-36(2)14-8-13-24(38)18-20-9-6-10-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-11-7-12-23(19-22)37-15-4-3-5-16-37;1-36(2)12-6-11-24(39)18-20-7-4-8-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-9-5-10-23(19-22)38-15-13-37(3)14-16-38;1-36(2)14-8-13-24(38)18-20-9-6-10-21(17-20)26-25-27(30)34-35-28(25)33-29(32-26)31-22-11-7-12-23(19-22)37-15-4-3-5-16-37;1-35(2)14-8-13-25(37)18-21-9-6-10-22(17-21)27-26-20-30-34-28(26)33-29(32-27)31-23-11-7-12-24(19-23)36-15-4-3-5-16-36/h7-14,18,20H,4-6,15-17,19H2,2-3H3,(H2,32,33,34,35,36);7-14,18,20H,4-6,15-17,19H2,1-3H3,(H2,31,32,33,34,35);6-13,17,19H,3-5,14-16,18H2,1-2H3,(H2,31,32,33,34,35);4-11,17,19H,12-16,18H2,1-3H3,(H2,31,32,33,34,35);6-13,17,19H,3-5,14-16,18H2,1-2H3,(H2,31,32,33,34,35);6-13,17,19-20H,3-5,14-16,18H2,1-2H3,(H2,30,31,32,33,34)/b2*14-9+;13-8+;11-6+;2*13-8+.

What are the key properties of (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one?

(E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one has a molecular weight of 3159.17 g/mol, XLogP of 31.07, 54 rotatable bonds, 12 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[3-[3-bromo-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-1-[3-[3-chloro-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-fluoro-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one is sourced from PubChem (CID 159294274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).