4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde

C83H99F3N28O5 — CID 159954504

About 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde

4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde (PubChem CID 159954504) has the molecular formula C83H99F3N28O5 and a molecular weight of 1625.89 g/mol. Its IUPAC name is 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde
• PubChem CID: 159954504
• Molecular Formula: C83H99F3N28O5
• Molecular Weight: 1625.89 g/mol
• Exact Mass: 1624.83
• IUPAC Name: 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde
• SMILES: COCCOc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1.Cc1ccc(-c2nn(C(C)(C)CN)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)CCCN)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNc3ncccn3)c3ncnc(N)c23)cc1.O=CC(F)(F)F
• InChI: InChI=1S/C25H29N7O3.C20H22N8.C20H27N7O.C16H20N6.C2HF3O/c1-16-5-7-17(8-6-16)21-20-22(26)29-15-30-23(20)32(31-21)25(2,3)14-28-24(33)19-13-18(9-10-27-19)35-12-11-34-4;1-13-5-7-14(8-6-13)16-15-17(21)25-12-26-18(15)28(27-16)20(2,3)11-24-19-22-9-4-10-23-19;1-13-6-8-14(9-7-13)17-16-18(22)24-12-25-19(16)27(26-17)20(2,3)11-23-15(28)5-4-10-21;1-10-4-6-11(7-5-10)13-12-14(18)19-9-20-15(12)22(21-13)16(2,3)8-17;3-2(4,5)1-6/h5-10,13,15H,11-12,14H2,1-4H3,(H,28,33)(H2,26,29,30);4-10,12H,11H2,1-3H3,(H2,21,25,26)(H,22,23,24);6-9,12H,4-5,10-11,21H2,1-3H3,(H,23,28)(H2,22,24,25);4-7,9H,8,17H2,1-3H3,(H2,18,19,20);1H
• InChIKey: OCNQWEBLLZRNGN-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 474.95 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1625.89
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde (CID 159954504) is 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde is COCCOc1ccnc(C(=O)NCC(C)(C)n2nc(-c3ccc(C)cc3)c3c(N)ncnc32)c1.Cc1ccc(-c2nn(C(C)(C)CN)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNC(=O)CCCN)c3ncnc(N)c23)cc1.Cc1ccc(-c2nn(C(C)(C)CNc3ncccn3)c3ncnc(N)c23)cc1.O=CC(F)(F)F.

What is the InChIKey of 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde?

The InChIKey is OCNQWEBLLZRNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3.C20H22N8.C20H27N7O.C16H20N6.C2HF3O/c1-16-5-7-17(8-6-16)21-20-22(26)29-15-30-23(20)32(31-21)25(2,3)14-28-24(33)19-13-18(9-10-27-19)35-12-11-34-4;1-13-5-7-14(8-6-13)16-15-17(21)25-12-26-18(15)28(27-16)20(2,3)11-24-19-22-9-4-10-23-19;1-13-6-8-14(9-7-13)17-16-18(22)24-12-25-19(16)27(26-17)20(2,3)11-23-15(28)5-4-10-21;1-10-4-6-11(7-5-10)13-12-14(18)19-9-20-15(12)22(21-13)16(2,3)8-17;3-2(4,5)1-6/h5-10,13,15H,11-12,14H2,1-4H3,(H,28,33)(H2,26,29,30);4-10,12H,11H2,1-3H3,(H2,21,25,26)(H,22,23,24);6-9,12H,4-5,10-11,21H2,1-3H3,(H,23,28)(H2,22,24,25);4-7,9H,8,17H2,1-3H3,(H2,18,19,20);1H.

What are the key properties of 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde?

4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde has a molecular weight of 1625.89 g/mol, XLogP of 10.79, 24 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]butanamide;N-[2-[4-amino-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropyl]-4-(2-methoxyethoxy)pyridine-2-carboxamide;1-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methylphenyl)-1-[2-methyl-1-(pyrimidin-2-ylamino)propan-2-yl]pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 159954504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).