1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

C106H114N48O2 — CID 167591003

About 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine

1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (PubChem CID 167591003) has the molecular formula C106H114N48O2 and a molecular weight of 2092.41 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
• PubChem CID: 167591003
• Molecular Formula: C106H114N48O2
• Molecular Weight: 2092.41 g/mol
• Exact Mass: 2091.03
• IUPAC Name: 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine
• SMILES: Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CC4(CCC4)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3COC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCC3)c2n1
• InChI: InChI=1S/C20H22N8.2C18H20N8.C17H18N8O.C17H18N8.C16H16N8O/c1-12-6-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-7-20(8-14)4-3-5-20;1-11-6-16-20-10-21-25(16)9-15(11)22-18-19-7-14-12(2)24-26(17(14)23-18)8-13-4-3-5-13;1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-5-3-4-6-13;1-10-5-15-19-9-20-24(15)7-14(10)21-17-18-6-13-11(2)23-25(16(13)22-17)12-3-4-26-8-12;1-10-6-15-19-9-20-24(15)8-14(10)21-17-18-7-13-11(2)23-25(16(13)22-17)12-4-3-5-12;1-9-3-14-18-8-19-23(14)5-13(9)20-16-17-4-12-10(2)22-24(15(12)21-16)11-6-25-7-11/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,21,24,25);6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,22,23);7-10,13H,3-6H2,1-2H3,(H,19,22,23);5-7,9,12H,3-4,8H2,1-2H3,(H,18,21,22);6-9,12H,3-5H2,1-2H3,(H,18,21,22);3-5,8,11H,6-7H2,1-2H3,(H,17,20,21)
• InChIKey: IKYZWMDKZFMQKD-UHFFFAOYSA-N
• XLogP: 17.05
• TPSA: 533.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 50
• Rotatable Bonds: 19
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2092.41
LogP ≤ 5	17.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	50

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?

The IUPAC name of 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine (CID 167591003) is 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine.

What is the SMILES notation for 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?

The canonical SMILES for 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CC4(CCC4)C3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCCC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3COC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCC3)c2n1.

What is the InChIKey of 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?

The InChIKey is IKYZWMDKZFMQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8.2C18H20N8.C17H18N8O.C17H18N8.C16H16N8O/c1-12-6-17-22-11-23-27(17)10-16(12)24-19-21-9-15-13(2)26-28(18(15)25-19)14-7-20(8-14)4-3-5-20;1-11-6-16-20-10-21-25(16)9-15(11)22-18-19-7-14-12(2)24-26(17(14)23-18)8-13-4-3-5-13;1-11-7-16-20-10-21-25(16)9-15(11)22-18-19-8-14-12(2)24-26(17(14)23-18)13-5-3-4-6-13;1-10-5-15-19-9-20-24(15)7-14(10)21-17-18-6-13-11(2)23-25(16(13)22-17)12-3-4-26-8-12;1-10-6-15-19-9-20-24(15)8-14(10)21-17-18-7-13-11(2)23-25(16(13)22-17)12-4-3-5-12;1-9-3-14-18-8-19-23(14)5-13(9)20-16-17-4-12-10(2)22-24(15(12)21-16)11-6-25-7-11/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,21,24,25);6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,22,23);7-10,13H,3-6H2,1-2H3,(H,19,22,23);5-7,9,12H,3-4,8H2,1-2H3,(H,18,21,22);6-9,12H,3-5H2,1-2H3,(H,18,21,22);3-5,8,11H,6-7H2,1-2H3,(H,17,20,21).

What are the key properties of 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine?

1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine has a molecular weight of 2092.41 g/mol, XLogP of 17.05, 19 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclobutyl-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;1-cyclopentyl-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-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-spiro[3.3]heptan-2-ylpyrazolo[3,4-d]pyrimidin-6-amine is sourced from PubChem (CID 167591003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).