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

C₂₈H₃₇N₇O₂ — CID 140863815

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

2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 140863815) has the molecular formula C₂₈H₃₇N₇O₂ and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[1-[[5-(2-ethylbenzimidazol-1-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-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
• PubChem CID: 140863815
• Molecular Formula: C₂₈H₃₇N₇O₂
• Molecular Weight: 503.65 g/mol
• Exact Mass: 503.30
• IUPAC Name: 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol
• SMILES: CCc1nc2ccccc2n1-c1cc(N2CCOCC2)n2nc(CN3CCC(C(C)(C)O)CC3)cc2n1
• InChI: InChI=1S/C28H37N7O2/c1-4-24-29-22-7-5-6-8-23(22)34(24)25-18-27(33-13-15-37-16-14-33)35-26(30-25)17-21(31-35)19-32-11-9-20(10-12-32)28(2,3)36/h5-8,17-18,20,36H,4,9-16,19H2,1-3H3
• InChIKey: ZNZVQZNKIRAGPZ-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 83.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.65
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-ethylbenzimidazol-1-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-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol (CID 140863815) is 2-[1-[[5-(2-ethylbenzimidazol-1-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-ethylbenzimidazol-1-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-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is CCc1nc2ccccc2n1-c1cc(N2CCOCC2)n2nc(CN3CCC(C(C)(C)O)CC3)cc2n1.

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

The InChIKey is ZNZVQZNKIRAGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2/c1-4-24-29-22-7-5-6-8-23(22)34(24)25-18-27(33-13-15-37-16-14-33)35-26(30-25)17-21(31-35)19-32-11-9-20(10-12-32)28(2,3)36/h5-8,17-18,20,36H,4,9-16,19H2,1-3H3.

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

2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 503.65 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[[5-(2-ethylbenzimidazol-1-yl)-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 140863815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140863815 — identifiers, structure, computed properties (public domain)

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