(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol

C23H20F2N4O2 — CID 11037247

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](Oc1cc(-c2ccccc2)ccn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N4O2/c1-16(31-22-11-18(9-10-27-22)17-5-3-2-4-6-17)23(30,13-29-15-26-14-28-29)20-8-7-19(24)12-21(20)25/h2-12,14-16,30H,13H2,1H3/t16-,23-/m1/s1
InChIKeyVBFIEWNHJJSNOY-WAIKUNEKSA-N
MW422.44 g/mol
LogP3.97
Rot. Bonds7

About (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol

(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol (PubChem CID 11037247) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID11037247
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol
SMILESC[C@@H](Oc1cc(-c2ccccc2)ccn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C23H20F2N4O2/c1-16(31-22-11-18(9-10-27-22)17-5-3-2-4-6-17)23(30,13-29-15-26-14-28-29)20-8-7-19(24)12-21(20)25/h2-12,14-16,30H,13H2,1H3/t16-,23-/m1/s1
InChIKeyVBFIEWNHJJSNOY-WAIKUNEKSA-N
XLogP3.97
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol 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,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol (CID 11037247) is (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol is C[C@@H](Oc1cc(-c2ccccc2)ccn1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol?
The InChIKey is VBFIEWNHJJSNOY-WAIKUNEKSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-16(31-22-11-18(9-10-27-22)17-5-3-2-4-6-17)23(30,13-29-15-26-14-28-29)20-8-7-19(24)12-21(20)25/h2-12,14-16,30H,13H2,1H3/t16-,23-/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol?
(2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol has a molecular weight of 422.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-[(4-phenyl-2-pyridinyl)oxy]-1-(1,2,4-triazol-1-yl)butan-2-ol is sourced from PubChem (CID 11037247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).