3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol

C40H46N16O3 — CID 167562095

About 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 167562095) has the molecular formula C40H46N16O3 and a molecular weight of 798.92 g/mol. Its IUPAC name is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

• Compound Name: 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol
• PubChem CID: 167562095
• Molecular Formula: C40H46N16O3
• Molecular Weight: 798.92 g/mol
• Exact Mass: 798.39
• IUPAC Name: 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol
• SMILES: Cc1cc2ncnn2cc1Nc1ncc2c(C)[nH]nc2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3C[C@H]4CC[C@@H](C3)O4)c2n1.OC1C[C@H]2CC[C@@H](C1)O2
• InChI: InChI=1S/C20H22N8O.C13H12N8.C7H12O2/c1-11-5-18-22-10-23-27(18)9-17(11)24-20-21-8-16-12(2)26-28(19(16)25-20)13-6-14-3-4-15(7-13)29-14;1-7-3-11-15-6-16-21(11)5-10(7)17-13-14-4-9-8(2)19-20-12(9)18-13;8-5-3-6-1-2-7(4-5)9-6/h5,8-10,13-15H,3-4,6-7H2,1-2H3,(H,21,24,25);3-6H,1-2H3,(H2,14,17,18,19,20);5-8H,1-4H2/t13?,14-,15+;;5?,6-,7+
• InChIKey: DUHMRLOLUSOAGX-JBBCYSTQSA-N
• XLogP: 5.56
• TPSA: 221.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.92
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol?

The IUPAC name of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol (CID 167562095) is 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol.

What is the SMILES notation for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol?

The canonical SMILES for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol is Cc1cc2ncnn2cc1Nc1ncc2c(C)[nH]nc2n1.Cc1cc2ncnn2cc1Nc1ncc2c(C)nn(C3C[C@H]4CC[C@@H](C3)O4)c2n1.OC1C[C@H]2CC[C@@H](C1)O2.

What is the InChIKey of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol?

The InChIKey is DUHMRLOLUSOAGX-JBBCYSTQSA-N. The full InChI is InChI=1S/C20H22N8O.C13H12N8.C7H12O2/c1-11-5-18-22-10-23-27(18)9-17(11)24-20-21-8-16-12(2)26-28(19(16)25-20)13-6-14-3-4-15(7-13)29-14;1-7-3-11-15-6-16-21(11)5-10(7)17-13-14-4-9-8(2)19-20-12(9)18-13;8-5-3-6-1-2-7(4-5)9-6/h5,8-10,13-15H,3-4,6-7H2,1-2H3,(H,21,24,25);3-6H,1-2H3,(H2,14,17,18,19,20);5-8H,1-4H2/t13?,14-,15+;;5?,6-,7+.

What are the key properties of 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol?

3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 798.92 g/mol, XLogP of 5.56, 5 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-[(1R,5S)-8-oxabicyclo[3.2.1]octan-3-yl]pyrazolo[3,4-d]pyrimidin-6-amine;3-methyl-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine;(1R,5S)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 167562095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).