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

C26H36N2O2 — CID 157026295

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (PubChem CID 157026295) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

• Compound Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• PubChem CID: 157026295
• Molecular Formula: C26H36N2O2
• Molecular Weight: 408.59 g/mol
• Exact Mass: 408.28
• IUPAC Name: (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(C3CCC(C)(C)O3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C26H36N2O2/c1-18(2)19-7-9-21(10-8-19)26(29,25(5)16-28(6)17-25)22-13-20(14-27-15-22)23-11-12-24(3,4)30-23/h7-10,13-15,18,23,29H,11-12,16-17H2,1-6H3/t23?,26-/m0/s1
• InChIKey: HCNCSENBLQAJHB-NASUQTAISA-N
• XLogP: 5.02
• TPSA: 45.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	408.59
LogP ≤ 5	5.02
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-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol?

The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol (CID 157026295) is (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol.

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

The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc([C@](O)(c2cncc(C3CCC(C)(C)O3)c2)C2(C)CN(C)C2)cc1.

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

The InChIKey is HCNCSENBLQAJHB-NASUQTAISA-N. The full InChI is InChI=1S/C26H36N2O2/c1-18(2)19-7-9-21(10-8-19)26(29,25(5)16-28(6)17-25)22-13-20(14-27-15-22)23-11-12-24(3,4)30-23/h7-10,13-15,18,23,29H,11-12,16-17H2,1-6H3/t23?,26-/m0/s1.

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

(R)-(1,3-dimethylazetidin-3-yl)-[5-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 408.59 g/mol, XLogP of 5.02, 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-(5,5-dimethyloxolan-2-yl)-3-pyridinyl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157026295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).