4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine

C26H34N8O2 — CID 162360872

About 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine

4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine (PubChem CID 162360872) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine.

Molecular Properties

• Compound Name: 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine
• PubChem CID: 162360872
• Molecular Formula: C26H34N8O2
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.28
• IUPAC Name: 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine
• SMILES: Cc1nc2nc(C)c(O[C@@H]3CCN(c4cnc(C56CC(CN7CCOCC7)(C5)C6)nc4)C3)c(C)n2n1
• InChI: InChI=1S/C26H34N8O2/c1-17-22(18(2)34-24(29-17)30-19(3)31-34)36-21-4-5-33(12-21)20-10-27-23(28-11-20)26-13-25(14-26,15-26)16-32-6-8-35-9-7-32/h10-11,21H,4-9,12-16H2,1-3H3/t21-,25?,26?/m1/s1
• InChIKey: KRLHTHSQUVGJET-ZUOMXFFYSA-N
• XLogP: 2.25
• TPSA: 93.80 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine?

The IUPAC name of 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine (CID 162360872) is 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine.

What is the SMILES notation for 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine?

The canonical SMILES for 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine is Cc1nc2nc(C)c(O[C@@H]3CCN(c4cnc(C56CC(CN7CCOCC7)(C5)C6)nc4)C3)c(C)n2n1.

What is the InChIKey of 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine?

The InChIKey is KRLHTHSQUVGJET-ZUOMXFFYSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-17-22(18(2)34-24(29-17)30-19(3)31-34)36-21-4-5-33(12-21)20-10-27-23(28-11-20)26-13-25(14-26,15-26)16-32-6-8-35-9-7-32/h10-11,21H,4-9,12-16H2,1-3H3/t21-,25?,26?/m1/s1.

What are the key properties of 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine?

4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine has a molecular weight of 490.61 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[5-[(3R)-3-[(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)oxy]pyrrolidin-1-yl]pyrimidin-2-yl]-1-bicyclo[1.1.1]pentanyl]methyl]morpholine is sourced from PubChem (CID 162360872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).