3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione

C114H115N23O8 — CID 158300485

About 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione

3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 158300485) has the molecular formula C114H115N23O8 and a molecular weight of 1935.33 g/mol. Its IUPAC name is 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

• Compound Name: 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione
• PubChem CID: 158300485
• Molecular Formula: C114H115N23O8
• Molecular Weight: 1935.33 g/mol
• Exact Mass: 1933.93
• IUPAC Name: 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione
• SMILES: CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccn3)n(Cc3ccc(-c4ccccc4)cc3)nc21.CC(C)n1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc21.Cc1cc(C)nc(-c2ccc(Cn3nc4c(c3Nc3ccccc3)c(=O)n(C)c(=O)n4CC(C)C)cc2)c1
• InChI: InChI=1S/C30H32N6O2.C29H29N5O2.C28H28N6O2.C27H26N6O2/c1-19(2)17-35-28-26(29(37)34(5)30(35)38)27(32-24-9-7-6-8-10-24)36(33-28)18-22-11-13-23(14-12-22)25-16-20(3)15-21(4)31-25;1-20(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)17-33-26-24(27(35)32(3)28(33)36)25(30-23-11-7-8-16-29-23)34(31-26)18-20-12-14-22(15-13-20)21-9-5-4-6-10-21;1-18(2)33-25-23(26(34)31(3)27(33)35)24(29-21-9-5-4-6-10-21)32(30-25)17-19-12-14-20(15-13-19)22-11-7-8-16-28-22/h6-16,19,32H,17-18H2,1-5H3;4-17,20,30H,18-19H2,1-3H3;4-16,19H,17-18H2,1-3H3,(H,29,30);4-16,18,29H,17H2,1-3H3
• InChIKey: GMLCSJGXJMMBIE-UHFFFAOYSA-N
• XLogP: 18.77
• TPSA: 334.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1935.33
LogP ≤ 5	18.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione (CID 158300485) is 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione.

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

The canonical SMILES for 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione is CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)nc21.CC(C)Cn1c(=O)n(C)c(=O)c2c(Nc3ccccn3)n(Cc3ccc(-c4ccccc4)cc3)nc21.CC(C)n1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc21.Cc1cc(C)nc(-c2ccc(Cn3nc4c(c3Nc3ccccc3)c(=O)n(C)c(=O)n4CC(C)C)cc2)c1.

What is the InChIKey of 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione?

The InChIKey is GMLCSJGXJMMBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O2.C29H29N5O2.C28H28N6O2.C27H26N6O2/c1-19(2)17-35-28-26(29(37)34(5)30(35)38)27(32-24-9-7-6-8-10-24)36(33-28)18-22-11-13-23(14-12-22)25-16-20(3)15-21(4)31-25;1-20(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)17-33-26-24(27(35)32(3)28(33)36)25(30-23-11-7-8-16-29-23)34(31-26)18-20-12-14-22(15-13-20)21-9-5-4-6-10-21;1-18(2)33-25-23(26(34)31(3)27(33)35)24(29-21-9-5-4-6-10-21)32(30-25)17-19-12-14-20(15-13-19)22-11-7-8-16-28-22/h6-16,19,32H,17-18H2,1-5H3;4-17,20,30H,18-19H2,1-3H3;4-16,19H,17-18H2,1-3H3,(H,29,30);4-16,18,29H,17H2,1-3H3.

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

3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 1935.33 g/mol, XLogP of 18.77, 27 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-anilino-2-[[4-(4,6-dimethyl-2-pyridinyl)phenyl]methyl]-5-methyl-7-(2-methylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;3-anilino-5-methyl-7-propan-2-yl-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione;5-methyl-7-(2-methylpropyl)-2-[(4-phenylphenyl)methyl]-3-(pyridin-2-ylamino)pyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 158300485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).