[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol

C26H25ClN2O2 — CID 59835758

IUPAC[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C26H25ClN2O2/c27-23-9-6-21(7-10-23)22-8-12-24(28-18-22)11-3-20-4-13-26(14-5-20)31-17-16-29-15-1-2-25(29)19-30/h4-10,12-14,18,25,30H,1-2,15-17,19H2/t25-/m1/s1
InChIKeyGGTZHCUZWHTXIC-RUZDIDTESA-N
MW432.95 g/mol
LogP4.64
Rot. Bonds6

About [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol

[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol (PubChem CID 59835758) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol
PubChem CID59835758
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1
InChIInChI=1S/C26H25ClN2O2/c27-23-9-6-21(7-10-23)22-8-12-24(28-18-22)11-3-20-4-13-26(14-5-20)31-17-16-29-15-1-2-25(29)19-30/h4-10,12-14,18,25,30H,1-2,15-17,19H2/t25-/m1/s1
InChIKeyGGTZHCUZWHTXIC-RUZDIDTESA-N
XLogP4.64
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]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 [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol (CID 59835758) is [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CCOc1ccc(C#Cc2ccc(-c3ccc(Cl)cc3)cn2)cc1.
What is the InChIKey of [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol?
The InChIKey is GGTZHCUZWHTXIC-RUZDIDTESA-N. The full InChI is InChI=1S/C26H25ClN2O2/c27-23-9-6-21(7-10-23)22-8-12-24(28-18-22)11-3-20-4-13-26(14-5-20)31-17-16-29-15-1-2-25(29)19-30/h4-10,12-14,18,25,30H,1-2,15-17,19H2/t25-/m1/s1.
What are the key properties of [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol has a molecular weight of 432.95 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenoxy]ethyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 59835758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).