1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

C161H158F2N34O8 — CID 157275522

IUPAC1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESC=CC(=O)Cc1cccc(-c2nc(Nc3ccc(O)c(N4CCC(C)CC4)c3)nc3[nH]ncc23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4ccccc4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4ccccc4)c23)c1
InChIInChI=1S/C34H32FN7O2.C34H33N7O2.C33H32FN7O.C33H33N7O.C27H28N6O2/c1-3-28(43)18-22-7-4-8-23(17-22)30-29-31(33(44)36-25-10-5-9-24(35)19-25)40-41-32(29)39-34(38-30)37-26-11-6-12-27(20-26)42-15-13-21(2)14-16-42;1-3-28(42)20-23-9-7-10-24(19-23)30-29-31(33(43)35-25-11-5-4-6-12-25)39-40-32(29)38-34(37-30)36-26-13-8-14-27(21-26)41-17-15-22(2)16-18-41;1-3-28(42)18-22-7-4-8-23(17-22)30-29-31(35-25-10-5-9-24(34)19-25)39-40-32(29)38-33(37-30)36-26-11-6-12-27(20-26)41-15-13-21(2)14-16-41;1-3-28(41)20-23-9-7-10-24(19-23)30-29-31(34-25-11-5-4-6-12-25)38-39-32(29)37-33(36-30)35-26-13-8-14-27(21-26)40-17-15-22(2)16-18-40;1-3-21(34)14-18-5-4-6-19(13-18)25-22-16-28-32-26(22)31-27(30-25)29-20-7-8-24(35)23(15-20)33-11-9-17(2)10-12-33/h3-12,17,19-21H,1,13-16,18H2,2H3,(H,36,44)(H2,37,38,39,40,41);3-14,19,21-22H,1,15-18,20H2,2H3,(H,35,43)(H2,36,37,38,39,40);3-12,17,19-21H,1,13-16,18H2,2H3,(H3,35,36,37,38,39,40);3-14,19,21-22H,1,15-18,20H2,2H3,(H3,34,35,36,37,38,39);3-8,13,15-17,35H,1,9-12,14H2,2H3,(H2,28,29,30,31,32)
InChIKeyAZAYTRZENPBQCD-UHFFFAOYSA-N
MW2735.26 g/mol
LogP32.46
Rot. Bonds43

About 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide

1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 157275522) has the molecular formula C161H158F2N34O8 and a molecular weight of 2735.26 g/mol. Its IUPAC name is 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID157275522
Molecular FormulaC161H158F2N34O8
Molecular Weight2735.26 g/mol
Exact Mass2733.30
IUPAC Name1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESC=CC(=O)Cc1cccc(-c2nc(Nc3ccc(O)c(N4CCC(C)CC4)c3)nc3[nH]ncc23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4ccccc4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4ccccc4)c23)c1
InChIInChI=1S/C34H32FN7O2.C34H33N7O2.C33H32FN7O.C33H33N7O.C27H28N6O2/c1-3-28(43)18-22-7-4-8-23(17-22)30-29-31(33(44)36-25-10-5-9-24(35)19-25)40-41-32(29)39-34(38-30)37-26-11-6-12-27(20-26)42-15-13-21(2)14-16-42;1-3-28(42)20-23-9-7-10-24(19-23)30-29-31(33(43)35-25-11-5-4-6-12-25)39-40-32(29)38-34(37-30)36-26-13-8-14-27(21-26)41-17-15-22(2)16-18-41;1-3-28(42)18-22-7-4-8-23(17-22)30-29-31(35-25-10-5-9-24(34)19-25)39-40-32(29)38-33(37-30)36-26-11-6-12-27(20-26)41-15-13-21(2)14-16-41;1-3-28(41)20-23-9-7-10-24(19-23)30-29-31(34-25-11-5-4-6-12-25)38-39-32(29)37-33(36-30)35-26-13-8-14-27(21-26)40-17-15-22(2)16-18-40;1-3-21(34)14-18-5-4-6-19(13-18)25-22-16-28-32-26(22)31-27(30-25)29-20-7-8-24(35)23(15-20)33-11-9-17(2)10-12-33/h3-12,17,19-21H,1,13-16,18H2,2H3,(H,36,44)(H2,37,38,39,40,41);3-14,19,21-22H,1,15-18,20H2,2H3,(H,35,43)(H2,36,37,38,39,40);3-12,17,19-21H,1,13-16,18H2,2H3,(H3,35,36,37,38,39,40);3-14,19,21-22H,1,15-18,20H2,2H3,(H3,34,35,36,37,38,39);3-8,13,15-17,35H,1,9-12,14H2,2H3,(H2,28,29,30,31,32)
InChIKeyAZAYTRZENPBQCD-UHFFFAOYSA-N
XLogP32.46
TPSA536.49 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds43
Heavy Atoms205
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002735.26
LogP ≤ 532.46
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 157275522) is 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide is C=CC(=O)Cc1cccc(-c2nc(Nc3ccc(O)c(N4CCC(C)CC4)c3)nc3[nH]ncc23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(C(=O)Nc4ccccc4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4cccc(F)c4)c23)c1.C=CC(=O)Cc1cccc(-c2nc(Nc3cccc(N4CCC(C)CC4)c3)nc3n[nH]c(Nc4ccccc4)c23)c1.
What is the InChIKey of 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is AZAYTRZENPBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN7O2.C34H33N7O2.C33H32FN7O.C33H33N7O.C27H28N6O2/c1-3-28(43)18-22-7-4-8-23(17-22)30-29-31(33(44)36-25-10-5-9-24(35)19-25)40-41-32(29)39-34(38-30)37-26-11-6-12-27(20-26)42-15-13-21(2)14-16-42;1-3-28(42)20-23-9-7-10-24(19-23)30-29-31(33(43)35-25-11-5-4-6-12-25)39-40-32(29)38-34(37-30)36-26-13-8-14-27(21-26)41-17-15-22(2)16-18-41;1-3-28(42)18-22-7-4-8-23(17-22)30-29-31(35-25-10-5-9-24(34)19-25)39-40-32(29)38-33(37-30)36-26-11-6-12-27(20-26)41-15-13-21(2)14-16-41;1-3-28(41)20-23-9-7-10-24(19-23)30-29-31(34-25-11-5-4-6-12-25)38-39-32(29)37-33(36-30)35-26-13-8-14-27(21-26)40-17-15-22(2)16-18-40;1-3-21(34)14-18-5-4-6-19(13-18)25-22-16-28-32-26(22)31-27(30-25)29-20-7-8-24(35)23(15-20)33-11-9-17(2)10-12-33/h3-12,17,19-21H,1,13-16,18H2,2H3,(H,36,44)(H2,37,38,39,40,41);3-14,19,21-22H,1,15-18,20H2,2H3,(H,35,43)(H2,36,37,38,39,40);3-12,17,19-21H,1,13-16,18H2,2H3,(H3,35,36,37,38,39,40);3-14,19,21-22H,1,15-18,20H2,2H3,(H3,34,35,36,37,38,39);3-8,13,15-17,35H,1,9-12,14H2,2H3,(H2,28,29,30,31,32).
What are the key properties of 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide?
1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 2735.26 g/mol, XLogP of 32.46, 43 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-anilino-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;1-[3-[3-(3-fluoroanilino)-6-[3-(4-methylpiperidin-1-yl)anilino]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;N-(3-fluorophenyl)-6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide;1-[3-[6-[4-hydroxy-3-(4-methylpiperidin-1-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]phenyl]but-3-en-2-one;6-[3-(4-methylpiperidin-1-yl)anilino]-4-[3-(2-oxobut-3-enyl)phenyl]-N-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 157275522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).