1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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

C110H122N48O6 — CID 167619605

About 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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

1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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 (PubChem CID 167619605) has the molecular formula C110H122N48O6 and a molecular weight of 2212.52 g/mol. Its IUPAC name is 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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.

Molecular Properties

• Compound Name: 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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
• PubChem CID: 167619605
• Molecular Formula: C110H122N48O6
• Molecular Weight: 2212.52 g/mol
• Exact Mass: 2211.07
• IUPAC Name: 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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
• SMILES: COC1CC2(C1)CC(n1nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc31)C2.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCOC3)c2n1
• InChI: InChI=1S/C21H24N8O.4C18H20N8O.C17H18N8O/c1-12-4-18-23-11-24-28(18)10-17(12)25-20-22-9-16-13(2)27-29(19(16)26-20)14-5-21(6-14)7-15(8-21)30-3;2*1-11-5-16-20-10-21-25(16)8-15(11)22-18-19-6-14-12(2)24-26(17(14)23-18)7-13-3-4-27-9-13;2*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)8-13-4-3-5-27-13;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/h4,9-11,14-15H,5-8H2,1-3H3,(H,22,25,26);2*5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,19,22,23);2*6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,22,23);5-7,9,12H,3-4,8H2,1-2H3,(H,18,21,22)
• InChIKey: MGDQNCXDQJKFFB-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 570.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 54
• Rotatable Bonds: 23
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.52
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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?

The IUPAC name of 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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 (CID 167619605) is 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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.

What is the SMILES notation for 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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?

The canonical SMILES for 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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 is COC1CC2(C1)CC(n1nc(C)c3cnc(Nc4cn5ncnc5cc4C)nc31)C2.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCCO3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCOC3)c2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(CC3CCOC3)c2n1.

What is the InChIKey of 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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?

The InChIKey is MGDQNCXDQJKFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O.4C18H20N8O.C17H18N8O/c1-12-4-18-23-11-24-28(18)10-17(12)25-20-22-9-16-13(2)27-29(19(16)26-20)14-5-21(6-14)7-15(8-21)30-3;2*1-11-5-16-20-10-21-25(16)8-15(11)22-18-19-6-14-12(2)24-26(17(14)23-18)7-13-3-4-27-9-13;2*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)8-13-4-3-5-27-13;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/h4,9-11,14-15H,5-8H2,1-3H3,(H,22,25,26);2*5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,19,22,23);2*6-7,9-10,13H,3-5,8H2,1-2H3,(H,19,22,23);5-7,9,12H,3-4,8H2,1-2H3,(H,18,21,22).

What are the key properties of 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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?

1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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 has a molecular weight of 2212.52 g/mol, XLogP of 14.90, 23 rotatable bonds, 6 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methoxyspiro[3.3]heptan-6-yl)-3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-6-amine;bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-6-amine);bis(3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(oxolan-3-ylmethyl)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 is sourced from PubChem (CID 167619605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).