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

C186H207ClF3N45O8 — CID 157137073

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

(E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (PubChem CID 157137073) has the molecular formula C186H207ClF3N45O8 and a molecular weight of 3293.46 g/mol. Its IUPAC name is (E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one
• PubChem CID: 157137073
• Molecular Formula: C186H207ClF3N45O8
• Molecular Weight: 3293.46 g/mol
• Exact Mass: 3290.68
• IUPAC Name: (E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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)Cc1cc(Cl)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cc(F)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1ccc(F)c(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(Nc4ccc(N5CCOCC5)c(F)c4)c23)c1.COc1cc(CC(=O)/C=C/CN(C)C)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.[C-]#[N+]c1cc(CC(=O)/C=C/CN(C)C)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1
• InChI: InChI=1S/C39H44FN9O2.C30H32N8O.C30H35N7O2.C29H32ClN7O.2C29H32FN7O/c1-47(2)16-8-13-32(50)24-27-9-6-10-28(23-27)36-35-37(41-30-14-15-34(33(40)26-30)49-19-21-51-22-20-49)45-46-38(35)44-39(43-36)42-29-11-7-12-31(25-29)48-17-4-3-5-18-48;1-31-24-16-21(17-26(39)11-8-12-37(2)3)15-22(18-24)28-27-20-32-36-29(27)35-30(34-28)33-23-9-7-10-25(19-23)38-13-5-4-6-14-38;1-36(2)12-8-11-25(38)16-21-15-22(18-26(17-21)39-3)28-27-20-31-35-29(27)34-30(33-28)32-23-9-7-10-24(19-23)37-13-5-4-6-14-37;1-36(2)11-7-10-25(38)16-20-14-21(17-22(30)15-20)27-26-19-31-35-28(26)34-29(33-27)32-23-8-6-9-24(18-23)37-12-4-3-5-13-37;1-36(2)13-7-10-23(38)16-20-11-12-26(30)24(17-20)27-25-19-31-35-28(25)34-29(33-27)32-21-8-6-9-22(18-21)37-14-4-3-5-15-37;1-36(2)11-7-10-25(38)16-20-14-21(17-22(30)15-20)27-26-19-31-35-28(26)34-29(33-27)32-23-8-6-9-24(18-23)37-12-4-3-5-13-37/h6-15,23,25-26H,3-5,16-22,24H2,1-2H3,(H3,41,42,43,44,45,46);7-11,15-16,18-20H,4-6,12-14,17H2,2-3H3,(H2,32,33,34,35,36);7-11,15,17-20H,4-6,12-14,16H2,1-3H3,(H2,31,32,33,34,35);6-10,14-15,17-19H,3-5,11-13,16H2,1-2H3,(H2,31,32,33,34,35);6-12,17-19H,3-5,13-16H2,1-2H3,(H2,31,32,33,34,35);6-10,14-15,17-19H,3-5,11-13,16H2,1-2H3,(H2,31,32,33,34,35)/b13-8+;2*11-8+;3*10-7+
• InChIKey: AJTAJTMYKRREMB-QDSNQTLJSA-N
• XLogP: 33.11
• TPSA: 578.33 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 46
• Rotatable Bonds: 58
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3293.46
LogP ≤ 5	33.11
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one (CID 157137073) is (E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[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)Cc1cc(Cl)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cc(F)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1ccc(F)c(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.CN(C)C/C=C/C(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3n[nH]c(Nc4ccc(N5CCOCC5)c(F)c4)c23)c1.COc1cc(CC(=O)/C=C/CN(C)C)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.[C-]#[N+]c1cc(CC(=O)/C=C/CN(C)C)cc(-c2nc(Nc3cccc(N4CCCCC4)c3)nc3[nH]ncc23)c1.

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

The InChIKey is AJTAJTMYKRREMB-QDSNQTLJSA-N. The full InChI is InChI=1S/C39H44FN9O2.C30H32N8O.C30H35N7O2.C29H32ClN7O.2C29H32FN7O/c1-47(2)16-8-13-32(50)24-27-9-6-10-28(23-27)36-35-37(41-30-14-15-34(33(40)26-30)49-19-21-51-22-20-49)45-46-38(35)44-39(43-36)42-29-11-7-12-31(25-29)48-17-4-3-5-18-48;1-31-24-16-21(17-26(39)11-8-12-37(2)3)15-22(18-24)28-27-20-32-36-29(27)35-30(34-28)33-23-9-7-10-25(19-23)38-13-5-4-6-14-38;1-36(2)12-8-11-25(38)16-21-15-22(18-26(17-21)39-3)28-27-20-31-35-29(27)34-30(33-28)32-23-9-7-10-24(19-23)37-13-5-4-6-14-37;1-36(2)11-7-10-25(38)16-20-14-21(17-22(30)15-20)27-26-19-31-35-28(26)34-29(33-27)32-23-8-6-9-24(18-23)37-12-4-3-5-13-37;1-36(2)13-7-10-23(38)16-20-11-12-26(30)24(17-20)27-25-19-31-35-28(25)34-29(33-27)32-21-8-6-9-22(18-21)37-14-4-3-5-15-37;1-36(2)11-7-10-25(38)16-20-14-21(17-22(30)15-20)27-26-19-31-35-28(26)34-29(33-27)32-23-8-6-9-24(18-23)37-12-4-3-5-13-37/h6-15,23,25-26H,3-5,16-22,24H2,1-2H3,(H3,41,42,43,44,45,46);7-11,15-16,18-20H,4-6,12-14,17H2,2-3H3,(H2,32,33,34,35,36);7-11,15,17-20H,4-6,12-14,16H2,1-3H3,(H2,31,32,33,34,35);6-10,14-15,17-19H,3-5,11-13,16H2,1-2H3,(H2,31,32,33,34,35);6-12,17-19H,3-5,13-16H2,1-2H3,(H2,31,32,33,34,35);6-10,14-15,17-19H,3-5,11-13,16H2,1-2H3,(H2,31,32,33,34,35)/b13-8+;2*11-8+;3*10-7+.

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

(E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one has a molecular weight of 3293.46 g/mol, XLogP of 33.11, 58 rotatable bonds, 13 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-[3-chloro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]-5-(dimethylamino)pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-[3-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-piperidin-1-ylanilino)-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-fluoro-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[4-fluoro-3-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-isocyano-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one;(E)-5-(dimethylamino)-1-[3-methoxy-5-[6-(3-piperidin-1-ylanilino)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]pent-3-en-2-one is sourced from PubChem (CID 157137073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).