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

C25H28F3N3O — CID 166525275

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

(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol (PubChem CID 166525275) has the molecular formula C25H28F3N3O and a molecular weight of 443.51 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol.

Molecular Properties

• Compound Name: (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
• PubChem CID: 166525275
• Molecular Formula: C25H28F3N3O
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.22
• IUPAC Name: (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
• SMILES: CC(C)c1ccc([C@](O)(c2cncc(-n3ccc(C(F)(F)F)c3)c2)C2(C)CN(C)C2)cc1
• InChI: InChI=1S/C25H28F3N3O/c1-17(2)18-5-7-19(8-6-18)24(32,23(3)15-30(4)16-23)21-11-22(13-29-12-21)31-10-9-20(14-31)25(26,27)28/h5-14,17,32H,15-16H2,1-4H3/t24-/m0/s1
• InChIKey: HBBVYPLTJIQKGS-DEOSSOPVSA-N
• XLogP: 5.20
• TPSA: 41.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	5.20
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)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol?

The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol (CID 166525275) is (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol.

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

The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol is CC(C)c1ccc([C@](O)(c2cncc(-n3ccc(C(F)(F)F)c3)c2)C2(C)CN(C)C2)cc1.

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

The InChIKey is HBBVYPLTJIQKGS-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28F3N3O/c1-17(2)18-5-7-19(8-6-18)24(32,23(3)15-30(4)16-23)21-11-22(13-29-12-21)31-10-9-20(14-31)25(26,27)28/h5-14,17,32H,15-16H2,1-4H3/t24-/m0/s1.

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

(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol has a molecular weight of 443.51 g/mol, XLogP of 5.20, 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)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol is sourced from PubChem (CID 166525275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).