7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

C139H165N29O10 — CID 157081806

About 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione

7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 157081806) has the molecular formula C139H165N29O10 and a molecular weight of 2402.04 g/mol. Its IUPAC name is 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

• Compound Name: 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• PubChem CID: 157081806
• Molecular Formula: C139H165N29O10
• Molecular Weight: 2402.04 g/mol
• Exact Mass: 2400.33
• IUPAC Name: 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• SMILES: CC(C)CNCc1cccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)c1.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCC4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCC4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3cccc(CNC(C)C)c3)nc21.CC(N)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc21
• InChI: InChI=1S/C29H35N5O2.C28H36N6O2.C28H33N5O2.C27H27N7O2.C27H34N6O2/c1-20(2)18-33-27-25(28(35)32(3)29(33)36)26(30-24-12-8-5-9-13-24)34(31-27)19-21-14-16-23(17-15-21)22-10-6-4-7-11-22;1-19(2)15-29-16-21-10-9-11-22(14-21)18-34-25(30-23-12-7-6-8-13-23)24-26(31-34)33(17-20(3)4)28(36)32(5)27(24)35;1-19(2)17-32-26-24(27(34)31(3)28(32)35)25(29-23-11-5-4-6-12-23)33(30-26)18-20-13-15-22(16-14-20)21-9-7-8-10-21;1-18(28)16-33-25-23(26(35)32(2)27(33)36)24(30-21-8-4-3-5-9-21)34(31-25)17-19-11-13-20(14-12-19)22-10-6-7-15-29-22;1-18(2)16-32-25-23(26(34)31(5)27(32)35)24(29-22-12-7-6-8-13-22)33(30-25)17-21-11-9-10-20(14-21)15-28-19(3)4/h5,8-9,12-17,20,22,30H,4,6-7,10-11,18-19H2,1-3H3;6-14,19-20,29-30H,15-18H2,1-5H3;4-6,11-16,19,21,29H,7-10,17-18H2,1-3H3;3-15,18,30H,16-17,28H2,1-2H3;6-14,18-19,28-29H,15-17H2,1-5H3
• InChIKey: ADQCQGMZKHWXNP-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 432.22 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 40
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2402.04
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The IUPAC name of 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 157081806) is 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione.

What is the SMILES notation for 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The canonical SMILES for 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)CNCc1cccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)c1.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCC4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(C4CCCCC4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3cccc(CNC(C)C)c3)nc21.CC(N)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc21.

What is the InChIKey of 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

The InChIKey is ADQCQGMZKHWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2.C28H36N6O2.C28H33N5O2.C27H27N7O2.C27H34N6O2/c1-20(2)18-33-27-25(28(35)32(3)29(33)36)26(30-24-12-8-5-9-13-24)34(31-27)19-21-14-16-23(17-15-21)22-10-6-4-7-11-22;1-19(2)15-29-16-21-10-9-11-22(14-21)18-34-25(30-23-12-7-6-8-13-23)24-26(31-34)33(17-20(3)4)28(36)32(5)27(24)35;1-19(2)17-32-26-24(27(34)31(3)28(32)35)25(29-23-11-5-4-6-12-23)33(30-26)18-20-13-15-22(16-14-20)21-9-7-8-10-21;1-18(28)16-33-25-23(26(35)32(2)27(33)36)24(30-21-8-4-3-5-9-21)34(31-25)17-19-11-13-20(14-12-19)22-10-6-7-15-29-22;1-18(2)16-32-25-23(26(34)31(5)27(32)35)24(29-22-12-7-6-8-13-22)33(30-25)17-21-11-9-10-20(14-21)15-28-19(3)4/h5,8-9,12-17,20,22,30H,4,6-7,10-11,18-19H2,1-3H3;6-14,19-20,29-30H,15-18H2,1-5H3;4-6,11-16,19,21,29H,7-10,17-18H2,1-3H3;3-15,18,30H,16-17,28H2,1-2H3;6-14,18-19,28-29H,15-17H2,1-5H3.

What are the key properties of 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione?

7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 2402.04 g/mol, XLogP of 21.43, 40 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-aminopropyl)-3-anilino-5-methyl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclohexylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-cyclopentylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 157081806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).