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

C25H28F3N3O — CID 166525275

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-n3ccc(C(F)(F)F)c3)c2)C2(C)CN(C)C2)cc1
InChIInChI=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
InChIKeyHBBVYPLTJIQKGS-DEOSSOPVSA-N
MW443.51 g/mol
LogP5.20
Rot. Bonds5

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 CID166525275
Molecular FormulaC25H28F3N3O
Molecular Weight443.51 g/mol
Exact Mass443.22
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-(4-propan-2-ylphenyl)-[5-[3-(trifluoromethyl)pyrrol-1-yl]-3-pyridinyl]methanol
SMILESCC(C)c1ccc([C@](O)(c2cncc(-n3ccc(C(F)(F)F)c3)c2)C2(C)CN(C)C2)cc1
InChIInChI=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
InChIKeyHBBVYPLTJIQKGS-DEOSSOPVSA-N
XLogP5.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.51
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).