(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

C₂₄H₃₂N₂O₂ — CID 157026584

About (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol

(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157026584) has the molecular formula C₂₄H₃₂N₂O₂ and a molecular weight of 380.53 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• PubChem CID: 157026584
• Molecular Formula: C₂₄H₃₂N₂O₂
• Molecular Weight: 380.53 g/mol
• Exact Mass: 380.25
• IUPAC Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(C3CCOC3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C24H32N2O2/c1-17(2)18-5-7-21(8-6-18)24(27,23(3)15-26(4)16-23)22-11-20(12-25-13-22)19-9-10-28-14-19/h5-8,11-13,17,19,27H,9-10,14-16H2,1-4H3/t19?,24-/m0/s1
• InChIKey: KCYDLLKKHGRQOG-WIIYFNMSSA-N
• XLogP: 3.90
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.53
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 157026584) is (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(C3CCOC3)c2)C2(C)CN(C)C2)cc1.

What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The InChIKey is KCYDLLKKHGRQOG-WIIYFNMSSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)18-5-7-21(8-6-18)24(27,23(3)15-26(4)16-23)22-11-20(12-25-13-22)19-9-10-28-14-19/h5-8,11-13,17,19,27H,9-10,14-16H2,1-4H3/t19?,24-/m0/s1.

What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

(R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 380.53 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-(1,3-dimethylazetidin-3-yl)-[5-(oxolan-3-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157026584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157026584 — identifiers, structure, computed properties (public domain)

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