7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

C144H160N32O10 — CID 157244924

About 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 157244924) has the molecular formula C144H160N32O10 and a molecular weight of 2499.08 g/mol. Its IUPAC name is 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

• Compound Name: 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• PubChem CID: 157244924
• Molecular Formula: C144H160N32O10
• Molecular Weight: 2499.08 g/mol
• Exact Mass: 2497.30
• IUPAC Name: 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCN4C)cc3)nc21.CN1CCC(n2c(=O)n(C)c(=O)c3c(Nc4ccccc4)n(Cc4ccc(-c5ccccn5)cc4)nc32)C1.Cc1cn(-c2ccc(Cn3nc4c(c3Nc3ccccc3)c(=O)n(C)c(=O)n4CC(C)C)cc2)cn1.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc2n(C2CCCCC2N)c1=O.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCC4)cc3)nc2n(CC(C)(C)C)c1=O
• InChI: InChI=1S/C30H31N7O2.C30H37N5O2.C29H29N7O2.C28H34N6O2.C27H29N7O2/c1-35-29(38)26-27(33-22-9-3-2-4-10-22)36(19-20-14-16-21(17-15-20)24-12-7-8-18-32-24)34-28(26)37(30(35)39)25-13-6-5-11-23(25)31;1-30(2,3)20-34-27-25(28(36)33(4)29(34)37)26(31-24-13-9-6-10-14-24)35(32-27)19-21-15-17-23(18-16-21)22-11-7-5-8-12-22;1-33-17-15-23(19-33)36-27-25(28(37)34(2)29(36)38)26(31-22-8-4-3-5-9-22)35(32-27)18-20-11-13-21(14-12-20)24-10-6-7-16-30-24;1-19(2)17-33-26-24(27(35)32(4)28(33)36)25(29-22-9-6-5-7-10-22)34(30-26)18-20-12-14-21(15-13-20)23-11-8-16-31(23)3;1-18(2)14-33-25-23(26(35)31(4)27(33)36)24(29-21-8-6-5-7-9-21)34(30-25)16-20-10-12-22(13-11-20)32-15-19(3)28-17-32/h2-4,7-10,12,14-18,23,25,33H,5-6,11,13,19,31H2,1H3;6,9-10,13-18,22,31H,5,7-8,11-12,19-20H2,1-4H3;3-14,16,23,31H,15,17-19H2,1-2H3;5-7,9-10,12-15,19,23,29H,8,11,16-18H2,1-4H3;5-13,15,17-18,29H,14,16H2,1-4H3
• InChIKey: AVQLTVLJCDALTE-UHFFFAOYSA-N
• XLogP: 21.55
• TPSA: 445.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 42
• Rotatable Bonds: 32
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2499.08
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The IUPAC name of 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 157244924) is 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione.

What is the SMILES notation for 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The canonical SMILES for 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCN4C)cc3)nc21.CN1CCC(n2c(=O)n(C)c(=O)c3c(Nc4ccccc4)n(Cc4ccc(-c5ccccn5)cc4)nc32)C1.Cc1cn(-c2ccc(Cn3nc4c(c3Nc3ccccc3)c(=O)n(C)c(=O)n4CC(C)C)cc2)cn1.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc2n(C2CCCCC2N)c1=O.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCC4)cc3)nc2n(CC(C)(C)C)c1=O.

What is the InChIKey of 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The InChIKey is AVQLTVLJCDALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N7O2.C30H37N5O2.C29H29N7O2.C28H34N6O2.C27H29N7O2/c1-35-29(38)26-27(33-22-9-3-2-4-10-22)36(19-20-14-16-21(17-15-20)24-12-7-8-18-32-24)34-28(26)37(30(35)39)25-13-6-5-11-23(25)31;1-30(2,3)20-34-27-25(28(36)33(4)29(34)37)26(31-24-13-9-6-10-14-24)35(32-27)19-21-15-17-23(18-16-21)22-11-7-5-8-12-22;1-33-17-15-23(19-33)36-27-25(28(37)34(2)29(36)38)26(31-22-8-4-3-5-9-22)35(32-27)18-20-11-13-21(14-12-20)24-10-6-7-16-30-24;1-19(2)17-33-26-24(27(35)32(4)28(33)36)25(29-22-9-6-5-7-10-22)34(30-26)18-20-12-14-21(15-13-20)23-11-8-16-31(23)3;1-18(2)14-33-25-23(26(35)31(4)27(33)36)24(29-21-8-6-5-7-9-21)34(30-25)16-20-10-12-22(13-11-20)32-15-19(3)28-17-32/h2-4,7-10,12,14-18,23,25,33H,5-6,11,13,19,31H2,1H3;6,9-10,13-18,22,31H,5,7-8,11-12,19-20H2,1-4H3;3-14,16,23,31H,15,17-19H2,1-2H3;5-7,9-10,12-15,19,23,29H,8,11,16-18H2,1-4H3;5-13,15,17-18,29H,14,16H2,1-4H3.

What are the key properties of 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 2499.08 g/mol, XLogP of 21.55, 32 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-aminocyclohexyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-7-(2,2-dimethylpropyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(4-methylimidazol-1-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[4-(1-methylpyrrolidin-2-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(1-methylpyrrolidin-3-yl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 157244924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).