1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol

C27H32F2N2O — CID 90669331

IUPAC1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C27H32F2N2O/c1-3-5-15-31(16-6-4-2)19-27(32)22-17-25(20-7-11-23(28)12-8-20)30-26(18-22)21-9-13-24(29)14-10-21/h7-14,17-18,27,32H,3-6,15-16,19H2,1-2H3
InChIKeyOEHBSOJOSOUPKJ-UHFFFAOYSA-N
MW438.56 g/mol
LogP6.63
Rot. Bonds11

About 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol

1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol (PubChem CID 90669331) has the molecular formula C27H32F2N2O and a molecular weight of 438.56 g/mol. Its IUPAC name is 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol.

Molecular Properties

Compound Name1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol
PubChem CID90669331
Molecular FormulaC27H32F2N2O
Molecular Weight438.56 g/mol
Exact Mass438.25
IUPAC Name1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol
SMILESCCCCN(CCCC)CC(O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1
InChIInChI=1S/C27H32F2N2O/c1-3-5-15-31(16-6-4-2)19-27(32)22-17-25(20-7-11-23(28)12-8-20)30-26(18-22)21-9-13-24(29)14-10-21/h7-14,17-18,27,32H,3-6,15-16,19H2,1-2H3
InChIKeyOEHBSOJOSOUPKJ-UHFFFAOYSA-N
XLogP6.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol 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 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol?
The IUPAC name of 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol (CID 90669331) is 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol.
What is the SMILES notation for 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol?
The canonical SMILES for 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol is CCCCN(CCCC)CC(O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)c1.
What is the InChIKey of 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol?
The InChIKey is OEHBSOJOSOUPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N2O/c1-3-5-15-31(16-6-4-2)19-27(32)22-17-25(20-7-11-23(28)12-8-20)30-26(18-22)21-9-13-24(29)14-10-21/h7-14,17-18,27,32H,3-6,15-16,19H2,1-2H3.
What are the key properties of 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol?
1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol has a molecular weight of 438.56 g/mol, XLogP of 6.63, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(4-fluorophenyl)-4-pyridinyl]-2-(dibutylamino)ethanol is sourced from PubChem (CID 90669331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).