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

C22H26N2O — CID 157026271

IUPAC(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
SMILESC#Cc1cncc([C@@](O)(c2ccc(C(C)C)cc2)C2(C)CN(C)C2)c1
InChIInChI=1S/C22H26N2O/c1-6-17-11-20(13-23-12-17)22(25,21(4)14-24(5)15-21)19-9-7-18(8-10-19)16(2)3/h1,7-13,16,25H,14-15H2,2-5H3/t22-/m0/s1
InChIKeyKPFMMWLGQDKKOX-QFIPXVFZSA-N
MW334.46 g/mol
LogP3.37
Rot. Bonds4

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

(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol (PubChem CID 157026271) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
PubChem CID157026271
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol
SMILESC#Cc1cncc([C@@](O)(c2ccc(C(C)C)cc2)C2(C)CN(C)C2)c1
InChIInChI=1S/C22H26N2O/c1-6-17-11-20(13-23-12-17)22(25,21(4)14-24(5)15-21)19-9-7-18(8-10-19)16(2)3/h1,7-13,16,25H,14-15H2,2-5H3/t22-/m0/s1
InChIKeyKPFMMWLGQDKKOX-QFIPXVFZSA-N
XLogP3.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)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)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol (CID 157026271) is (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol is C#Cc1cncc([C@@](O)(c2ccc(C(C)C)cc2)C2(C)CN(C)C2)c1.
What is the InChIKey of (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol?
The InChIKey is KPFMMWLGQDKKOX-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H26N2O/c1-6-17-11-20(13-23-12-17)22(25,21(4)14-24(5)15-21)19-9-7-18(8-10-19)16(2)3/h1,7-13,16,25H,14-15H2,2-5H3/t22-/m0/s1.
What are the key properties of (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol?
(R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol has a molecular weight of 334.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(1,3-dimethylazetidin-3-yl)-(5-ethynyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 157026271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).