(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine

C₂₂H₃₄N₄O — CID 162723889

About (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine

(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine (PubChem CID 162723889) has the molecular formula C₂₂H₃₄N₄O and a molecular weight of 370.54 g/mol. Its IUPAC name is (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine.

Molecular Properties

• Compound Name: (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine
• PubChem CID: 162723889
• Molecular Formula: C₂₂H₃₄N₄O
• Molecular Weight: 370.54 g/mol
• Exact Mass: 370.27
• IUPAC Name: (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine
• SMILES: Cc1cc([C@H]2CN[C@@H](C)CO2)n2nc(C3CCC(C(C)(C)C)CC3)cc2n1
• InChI: InChI=1S/C22H34N4O/c1-14-10-19(20-12-23-15(2)13-27-20)26-21(24-14)11-18(25-26)16-6-8-17(9-7-16)22(3,4)5/h10-11,15-17,20,23H,6-9,12-13H2,1-5H3/t15-,16?,17?,20+/m0/s1
• InChIKey: IOEPEUSICCCRSV-MVBPIPQGSA-N
• XLogP: 4.41
• TPSA: 51.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.54
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?

The IUPAC name of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine (CID 162723889) is (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine.

What is the SMILES notation for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?

The canonical SMILES for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine is Cc1cc([C@H]2CN[C@@H](C)CO2)n2nc(C3CCC(C(C)(C)C)CC3)cc2n1.

What is the InChIKey of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?

The InChIKey is IOEPEUSICCCRSV-MVBPIPQGSA-N. The full InChI is InChI=1S/C22H34N4O/c1-14-10-19(20-12-23-15(2)13-27-20)26-21(24-14)11-18(25-26)16-6-8-17(9-7-16)22(3,4)5/h10-11,15-17,20,23H,6-9,12-13H2,1-5H3/t15-,16?,17?,20+/m0/s1.

What are the key properties of (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine?

(2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine has a molecular weight of 370.54 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,5S)-2-[2-(4-tert-butylcyclohexyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-5-methylmorpholine is sourced from PubChem (CID 162723889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162723889 — identifiers, structure, computed properties (public domain)

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