bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine

C100H110F6N48O4 — CID 167561175

About bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine

bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167561175) has the molecular formula C100H110F6N48O4 and a molecular weight of 2162.30 g/mol. Its IUPAC name is bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 167561175
• Molecular Formula: C100H110F6N48O4
• Molecular Weight: 2162.30 g/mol
• Exact Mass: 2160.98
• IUPAC Name: bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: CCC(C)n1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.CCC(C)n1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCCCn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCCn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCOC(F)(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCOC(F)(F)F)c2n1
• InChI: InChI=1S/C17H17F3N8O.C17H20N8O.2C17H20N8.C16H15F3N8O.C16H18N8O/c1-10-6-14-22-9-23-28(14)8-13(10)24-16-21-7-12-11(2)26-27(15(12)25-16)4-3-5-29-17(18,19)20;1-11-7-15-19-10-20-25(15)9-14(11)21-17-18-8-13-12(2)23-24(16(13)22-17)5-4-6-26-3;2*1-5-11(3)25-16-13(12(4)23-25)7-18-17(22-16)21-14-8-24-15(6-10(14)2)19-9-20-24;1-9-5-13-21-8-22-27(13)7-12(9)23-15-20-6-11-10(2)25-26(14(11)24-15)3-4-28-16(17,18)19;1-10-6-14-18-9-19-24(14)8-13(10)20-16-17-7-12-11(2)22-23(4-5-25-3)15(12)21-16/h6-9H,3-5H2,1-2H3,(H,21,24,25);7-10H,4-6H2,1-3H3,(H,18,21,22);2*6-9,11H,5H2,1-4H3,(H,18,21,22);5-8H,3-4H2,1-2H3,(H,20,23,24);6-9H,4-5H2,1-3H3,(H,17,20,21)
• InChIKey: DRFMOURUGBUDJW-UHFFFAOYSA-N
• XLogP: 16.46
• TPSA: 551.84 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 52
• Rotatable Bonds: 30
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.30
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine (CID 167561175) is bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine is CCC(C)n1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.CCC(C)n1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCCCn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.COCCn1nc(C)c2cnc(Nc3cn4ncnc4cc3C)nc21.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCCOC(F)(F)F)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CCOC(F)(F)F)c2n1.

What is the InChIKey of bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is DRFMOURUGBUDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N8O.C17H20N8O.2C17H20N8.C16H15F3N8O.C16H18N8O/c1-10-6-14-22-9-23-28(14)8-13(10)24-16-21-7-12-11(2)26-27(15(12)25-16)4-3-5-29-17(18,19)20;1-11-7-15-19-10-20-25(15)9-14(11)21-17-18-8-13-12(2)23-24(16(13)22-17)5-4-6-26-3;2*1-5-11(3)25-16-13(12(4)23-25)7-18-17(22-16)21-14-8-24-15(6-10(14)2)19-9-20-24;1-9-5-13-21-8-22-27(13)7-12(9)23-15-20-6-11-10(2)25-26(14(11)24-15)3-4-28-16(17,18)19;1-10-6-14-18-9-19-24(14)8-13(10)20-16-17-7-12-11(2)22-23(4-5-25-3)15(12)21-16/h6-9H,3-5H2,1-2H3,(H,21,24,25);7-10H,4-6H2,1-3H3,(H,18,21,22);2*6-9,11H,5H2,1-4H3,(H,18,21,22);5-8H,3-4H2,1-2H3,(H,20,23,24);6-9H,4-5H2,1-3H3,(H,17,20,21).

What are the key properties of bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine?

bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 2162.30 g/mol, XLogP of 16.46, 30 rotatable bonds, 6 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-butan-2-yl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine);1-(2-methoxyethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-(3-methoxypropyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[2-(trifluoromethoxy)ethyl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[3-(trifluoromethoxy)propyl]pyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167561175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).