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

C176H202BrClFN49O6 — CID 161419423

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

(E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (PubChem CID 161419423) has the molecular formula C176H202BrClFN49O6 and a molecular weight of 3234.24 g/mol. Its IUPAC name is (E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one
• PubChem CID: 161419423
• Molecular Formula: C176H202BrClFN49O6
• Molecular Weight: 3234.24 g/mol
• Exact Mass: 3230.59
• IUPAC Name: (E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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(N4CCN(C)CC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Br)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Cl)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(F)c23)c1.Cc1[nH]nc2nc(Nc3cccc(N4CCN(C)CC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.[C-]#[N+]c1[nH]nc2nc(Nc3cccc(N4CCN(C)CC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12
• InChI: InChI=1S/C30H33N9O.C30H36N8O.C29H33BrN8O.C29H33ClN8O.C29H33FN8O.C29H34N8O/c1-31-28-26-27(22-9-5-8-21(18-22)19-25(40)12-7-13-37(2)3)33-30(34-29(26)36-35-28)32-23-10-6-11-24(20-23)39-16-14-38(4)15-17-39;1-21-27-28(23-9-5-8-22(18-23)19-26(39)12-7-13-36(2)3)32-30(33-29(27)35-34-21)31-24-10-6-11-25(20-24)38-16-14-37(4)15-17-38;3*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;1-35(2)12-6-11-25(38)18-21-7-4-8-22(17-21)27-26-20-30-34-28(26)33-29(32-27)31-23-9-5-10-24(19-23)37-15-13-36(3)14-16-37/h5-12,18,20H,13-17,19H2,2-4H3,(H2,32,33,34,35,36);5-12,18,20H,13-17,19H2,1-4H3,(H2,31,32,33,34,35);3*4-11,17,19H,12-16,18H2,1-3H3,(H2,31,32,33,34,35);4-11,17,19-20H,12-16,18H2,1-3H3,(H2,30,31,32,33,34)/b2*12-7+;4*11-6+
• InChIKey: VWNIXYWBYCEHTN-OACMMLKOSA-N
• XLogP: 24.88
• TPSA: 564.04 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 48
• Rotatable Bonds: 54
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3234.24
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	48

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-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (CID 161419423) is (E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-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(N4CCN(C)CC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Br)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(Cl)c23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCN(C)CC4)c3)nc3n[nH]c(F)c23)c1.Cc1[nH]nc2nc(Nc3cccc(N4CCN(C)CC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.[C-]#[N+]c1[nH]nc2nc(Nc3cccc(N4CCN(C)CC4)c3)nc(-c3cccc(CC(=O)/C=C/CN(C)C)c3)c12.

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

The InChIKey is VWNIXYWBYCEHTN-OACMMLKOSA-N. The full InChI is InChI=1S/C30H33N9O.C30H36N8O.C29H33BrN8O.C29H33ClN8O.C29H33FN8O.C29H34N8O/c1-31-28-26-27(22-9-5-8-21(18-22)19-25(40)12-7-13-37(2)3)33-30(34-29(26)36-35-28)32-23-10-6-11-24(20-23)39-16-14-38(4)15-17-39;1-21-27-28(23-9-5-8-22(18-23)19-26(39)12-7-13-36(2)3)32-30(33-29(27)35-34-21)31-24-10-6-11-25(20-24)38-16-14-37(4)15-17-38;3*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;1-35(2)12-6-11-25(38)18-21-7-4-8-22(17-21)27-26-20-30-34-28(26)33-29(32-27)31-23-9-5-10-24(19-23)37-15-13-36(3)14-16-37/h5-12,18,20H,13-17,19H2,2-4H3,(H2,32,33,34,35,36);5-12,18,20H,13-17,19H2,1-4H3,(H2,31,32,33,34,35);3*4-11,17,19H,12-16,18H2,1-3H3,(H2,31,32,33,34,35);4-11,17,19-20H,12-16,18H2,1-3H3,(H2,30,31,32,33,34)/b2*12-7+;4*11-6+.

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

(E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one has a molecular weight of 3234.24 g/mol, XLogP of 24.88, 54 rotatable bonds, 12 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[3-[3-bromo-6-[3-(4-methylpiperazin-1-yl)anilino]-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-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-isocyano-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-methyl-6-[3-(4-methylpiperazin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[6-[3-(4-methylpiperazin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one is sourced from PubChem (CID 161419423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).