2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

C₂₃H₃₂N₈O₂ — CID 140863817

About 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 140863817) has the molecular formula C₂₃H₃₂N₈O₂ and a molecular weight of 452.56 g/mol. Its IUPAC name is 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
• PubChem CID: 140863817
• Molecular Formula: C₂₃H₃₂N₈O₂
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.26
• IUPAC Name: 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
• SMILES: CC(C)(O)C1CCN(Cc2cc3nc(-c4cnc(N)nc4)cc(N4CCOCC4)n3n2)CC1
• InChI: InChI=1S/C23H32N8O2/c1-23(2,32)17-3-5-29(6-4-17)15-18-11-20-27-19(16-13-25-22(24)26-14-16)12-21(31(20)28-18)30-7-9-33-10-8-30/h11-14,17,32H,3-10,15H2,1-2H3,(H2,24,25,26)
• InChIKey: QGNAPMIBAOEPPA-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 117.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?

The IUPAC name of 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (CID 140863817) is 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol.

What is the SMILES notation for 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?

The canonical SMILES for 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2cc3nc(-c4cnc(N)nc4)cc(N4CCOCC4)n3n2)CC1.

What is the InChIKey of 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?

The InChIKey is QGNAPMIBAOEPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O2/c1-23(2,32)17-3-5-29(6-4-17)15-18-11-20-27-19(16-13-25-22(24)26-14-16)12-21(31(20)28-18)30-7-9-33-10-8-30/h11-14,17,32H,3-10,15H2,1-2H3,(H2,24,25,26).

What are the key properties of 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol?

2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 452.56 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[5-(2-aminopyrimidin-5-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 140863817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140863817 — identifiers, structure, computed properties (public domain)

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