3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

C137H150N34O10 — CID 157458525

About 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione

3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 157458525) has the molecular formula C137H150N34O10 and a molecular weight of 2432.93 g/mol. Its IUPAC name is 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

• Compound Name: 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
• PubChem CID: 157458525
• Molecular Formula: C137H150N34O10
• Molecular Weight: 2432.93 g/mol
• Exact Mass: 2431.23
• IUPAC Name: 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4nccn4C)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4ccnc4)cc3)nc21.CCN1CCCCC1c1ccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1.Cc1ccnn1-c1ccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)(C)C)cc1.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc2n(CC2CC2)c1=O
• InChI: InChI=1S/C30H38N6O2.C28H31N7O2.C27H29N7O2.C26H25N7O2.C26H27N7O2/c1-5-34-18-10-9-13-25(34)23-16-14-22(15-17-23)20-36-27(31-24-11-7-6-8-12-24)26-28(32-36)35(19-21(2)3)30(38)33(4)29(26)37;1-19-15-16-29-35(19)22-13-11-20(12-14-22)17-34-24(30-21-9-7-6-8-10-21)23-25(31-34)33(18-28(2,3)4)27(37)32(5)26(23)36;1-18(2)16-33-25-22(26(35)32(4)27(33)36)24(29-21-8-6-5-7-9-21)34(30-25)17-19-10-12-20(13-11-19)23-28-14-15-31(23)3;1-30-25(34)22-23(28-20-6-3-2-4-7-20)33(29-24(22)31(26(30)35)16-18-8-9-18)17-19-10-12-21(13-11-19)32-15-5-14-27-32;1-18(2)15-32-24-22(25(34)30(3)26(32)35)23(28-20-7-5-4-6-8-20)33(29-24)16-19-9-11-21(12-10-19)31-14-13-27-17-31/h6-8,11-12,14-17,21,25,31H,5,9-10,13,18-20H2,1-4H3;6-16,30H,17-18H2,1-5H3;5-15,18,29H,16-17H2,1-4H3;2-7,10-15,18,28H,8-9,16-17H2,1H3;4-14,17-18,28H,15-16H2,1-3H3
• InChIKey: BTQMBVOHTYOUOR-UHFFFAOYSA-N
• XLogP: 19.68
• TPSA: 443.77 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 35
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.93
LogP ≤ 5	19.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?

The IUPAC name of 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 157458525) is 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione.

What is the SMILES notation for 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?

The canonical SMILES for 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4nccn4C)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4ccnc4)cc3)nc21.CCN1CCCCC1c1ccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)C)cc1.Cc1ccnn1-c1ccc(Cn2nc3c(c2Nc2ccccc2)c(=O)n(C)c(=O)n3CC(C)(C)C)cc1.Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-n4cccn4)cc3)nc2n(CC2CC2)c1=O.

What is the InChIKey of 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?

The InChIKey is BTQMBVOHTYOUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O2.C28H31N7O2.C27H29N7O2.C26H25N7O2.C26H27N7O2/c1-5-34-18-10-9-13-25(34)23-16-14-22(15-17-23)20-36-27(31-24-11-7-6-8-12-24)26-28(32-36)35(19-21(2)3)30(38)33(4)29(26)37;1-19-15-16-29-35(19)22-13-11-20(12-14-22)17-34-24(30-21-9-7-6-8-10-21)23-25(31-34)33(18-28(2,3)4)27(37)32(5)26(23)36;1-18(2)16-33-25-22(26(35)32(4)27(33)36)24(29-21-8-6-5-7-9-21)34(30-25)17-19-10-12-20(13-11-19)23-28-14-15-31(23)3;1-30-25(34)22-23(28-20-6-3-2-4-7-20)33(29-24(22)31(26(30)35)16-18-8-9-18)17-19-10-12-21(13-11-19)32-15-5-14-27-32;1-18(2)15-32-24-22(25(34)30(3)26(32)35)23(28-20-7-5-4-6-8-20)33(29-24)16-19-9-11-21(12-10-19)31-14-13-27-17-31/h6-8,11-12,14-17,21,25,31H,5,9-10,13,18-20H2,1-4H3;6-16,30H,17-18H2,1-5H3;5-15,18,29H,16-17H2,1-4H3;2-7,10-15,18,28H,8-9,16-17H2,1H3;4-14,17-18,28H,15-16H2,1-3H3.

What are the key properties of 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione?

3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 2432.93 g/mol, XLogP of 19.68, 35 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anilino-7-(cyclopropylmethyl)-5-methyl-2-[(4-pyrazol-1-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-7-(2,2-dimethylpropyl)-5-methyl-2-[[4-(5-methylpyrazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[[4-(1-ethylpiperidin-2-yl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-2-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-2-[[4-(1-methylimidazol-2-yl)phenyl]methyl]-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 157458525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).