6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

C167H201F5N42O10 — CID 158492250

About 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one

6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 158492250) has the molecular formula C167H201F5N42O10 and a molecular weight of 3051.72 g/mol. Its IUPAC name is 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 158492250
• Molecular Formula: C167H201F5N42O10
• Molecular Weight: 3051.72 g/mol
• Exact Mass: 3049.64
• IUPAC Name: 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
• SMILES: C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C2(F)CC(F)(F)C2)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(CC(F)F)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(CCOC)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.[C-]#[N+]CCN1CCC2(CC1)CCN(c1ccc(Nc3ncc4c(=O)n(CC=C)n(-c5cccc(C(C)(C)O)n5)c4n3)cc1)CC2.[C-]#[N+]CN1CCC2(CC1)CCN(c1ccc(Nc3ncc4c(=O)n(CC=C)n(-c5cccc(C(C)(C)O)n5)c4n3)cc1)CC2
• InChI: InChI=1S/C34H41N9O2.C34H44N8O3.C33H37F3N8O.C33H40F2N8O2.C33H39N9O2/c1-5-18-42-31(44)27-24-36-32(39-30(27)43(42)29-8-6-7-28(38-29)33(2,3)45)37-25-9-11-26(12-10-25)41-21-15-34(16-22-41)13-19-40(20-14-34)23-17-35-4;1-5-17-41-31(43)27-24-35-32(38-30(27)42(41)29-8-6-7-28(37-29)33(2,3)44)36-25-9-11-26(12-10-25)40-20-15-34(16-21-40)13-18-39(19-14-34)22-23-45-4;1-3-15-43-29(45)25-20-37-30(40-28(25)44(43)27-6-4-5-26(39-27)32(34)21-33(35,36)22-32)38-23-7-9-24(10-8-23)42-18-13-31(14-19-42)11-16-41(2)17-12-31;1-4-16-42-30(44)25-21-36-31(39-29(25)43(42)28-7-5-6-26(38-28)32(2,3)45)37-23-8-10-24(11-9-23)41-19-14-33(15-20-41)12-17-40(18-13-33)22-27(34)35;1-5-17-41-30(43)26-22-35-31(38-29(26)42(41)28-8-6-7-27(37-28)32(2,3)44)36-24-9-11-25(12-10-24)40-20-15-33(16-21-40)13-18-39(19-14-33)23-34-4/h5-12,24,45H,1,13-23H2,2-3H3,(H,36,37,39);5-12,24,44H,1,13-23H2,2-4H3,(H,35,36,38);3-10,20H,1,11-19,21-22H2,2H3,(H,37,38,40);4-11,21,27,45H,1,12-20,22H2,2-3H3,(H,36,37,39);5-12,22,44H,1,13-21,23H2,2-3H3,(H,35,36,38)
• InChIKey: HIVMUHVYGGULRC-UHFFFAOYSA-N
• XLogP: 24.79
• TPSA: 519.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 50
• Rotatable Bonds: 43
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3051.72
LogP ≤ 5	24.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	50

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': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one (CID 158492250) is 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(C)CC5)CC4)cc3)nc2n1-c1cccc(C2(F)CC(F)(F)C2)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(CC(F)F)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.C=CCn1c(=O)c2cnc(Nc3ccc(N4CCC5(CCN(CCOC)CC5)CC4)cc3)nc2n1-c1cccc(C(C)(C)O)n1.[C-]#[N+]CCN1CCC2(CC1)CCN(c1ccc(Nc3ncc4c(=O)n(CC=C)n(-c5cccc(C(C)(C)O)n5)c4n3)cc1)CC2.[C-]#[N+]CN1CCC2(CC1)CCN(c1ccc(Nc3ncc4c(=O)n(CC=C)n(-c5cccc(C(C)(C)O)n5)c4n3)cc1)CC2.

What is the InChIKey of 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is HIVMUHVYGGULRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N9O2.C34H44N8O3.C33H37F3N8O.C33H40F2N8O2.C33H39N9O2/c1-5-18-42-31(44)27-24-36-32(39-30(27)43(42)29-8-6-7-28(38-29)33(2,3)45)37-25-9-11-26(12-10-25)41-21-15-34(16-22-41)13-19-40(20-14-34)23-17-35-4;1-5-17-41-31(43)27-24-35-32(38-30(27)42(41)29-8-6-7-28(37-29)33(2,3)44)36-25-9-11-26(12-10-25)40-20-15-34(16-21-40)13-18-39(19-14-34)22-23-45-4;1-3-15-43-29(45)25-20-37-30(40-28(25)44(43)27-6-4-5-26(39-27)32(34)21-33(35,36)22-32)38-23-7-9-24(10-8-23)42-18-13-31(14-19-42)11-16-41(2)17-12-31;1-4-16-42-30(44)25-21-36-31(39-29(25)43(42)28-7-5-6-26(38-28)32(2,3)45)37-23-8-10-24(11-9-23)41-19-14-33(15-20-41)12-17-40(18-13-33)22-27(34)35;1-5-17-41-30(43)26-22-35-31(38-29(26)42(41)28-8-6-7-27(37-28)32(2,3)44)36-24-9-11-25(12-10-24)40-20-15-33(16-21-40)13-18-39(19-14-33)23-34-4/h5-12,24,45H,1,13-23H2,2-3H3,(H,36,37,39);5-12,24,44H,1,13-23H2,2-4H3,(H,35,36,38);3-10,20H,1,11-19,21-22H2,2H3,(H,37,38,40);4-11,21,27,45H,1,12-20,22H2,2-3H3,(H,36,37,39);5-12,22,44H,1,13-21,23H2,2-3H3,(H,35,36,38).

What are the key properties of 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one?

6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 3051.72 g/mol, XLogP of 24.79, 43 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[9-(2,2-difluoroethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-isocyanoethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(isocyanomethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-6-[4-[9-(2-methoxyethyl)-3,9-diazaspiro[5.5]undecan-3-yl]anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one;6-[4-(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)anilino]-2-prop-2-enyl-1-[6-(1,3,3-trifluorocyclobutyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 158492250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).