(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

C46H38F8N10O4 — CID 158754368

IUPAC(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESCCOc1ccc(-c2ccc(C(F)(F)[C@@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/2C23H19F4N5O2/c2*1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h2*3-12,14,33H,2,13H2,1H3/t2*22-/m10/s1
InChIKeyINWLGYKOCCNHJR-IKXJNKEISA-N
MW946.86 g/mol
LogP8.18
Rot. Bonds16

About (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol

(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (PubChem CID 158754368) has the molecular formula C46H38F8N10O4 and a molecular weight of 946.86 g/mol. Its IUPAC name is (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
PubChem CID158754368
Molecular FormulaC46H38F8N10O4
Molecular Weight946.86 g/mol
Exact Mass946.29
IUPAC Name(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol
SMILESCCOc1ccc(-c2ccc(C(F)(F)[C@@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1
InChIInChI=1S/2C23H19F4N5O2/c2*1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h2*3-12,14,33H,2,13H2,1H3/t2*22-/m10/s1
InChIKeyINWLGYKOCCNHJR-IKXJNKEISA-N
XLogP8.18
TPSA171.90 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds16
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500946.86
LogP ≤ 58.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol with MolForge

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Related Compounds

Oteseconazole
CID 77050711
Vt-1598
CID 126715974
Quilseconazole
CID 91886002
4-[[4-[2-[6-[2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]-3-pyridinyl]ethynyl]phenoxy]methyl]benzonitrile
CID 71621803
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-pyridinyl]propan-2-ol
CID 168283190
(R/S)-Oteseconazole
CID 53497490
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(1H-tetrazol-1-yl)-1-(5-(2,2,2-trifluoro ethoxy)pyridin-2-yl)propan-2-ol
CID 71475689
4-[[4-[2-[6-[2-(2,5-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile
CID 71621495
4-[[4-[2-[6-[2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]-2-fluorobenzonitrile
CID 71621802
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[2-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethynyl]pyridin-2-yl]propan-2-ol
CID 89619265
3-[[4-[2-[6-[2-(2,4-Difluorophenyl)-1,1-difluoro-2-hydroxy-3-(tetrazol-1-yl)propyl]pyridin-3-yl]ethynyl]phenoxy]methyl]benzonitrile
CID 89619268
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[2-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]ethynyl]pyridin-2-yl]propan-2-ol
CID 89619334

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The IUPAC name of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol (CID 158754368) is (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The canonical SMILES for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is CCOc1ccc(-c2ccc(C(F)(F)[C@@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.CCOc1ccc(-c2ccc(C(F)(F)[C@](O)(Cn3cnnn3)c3ccc(F)cc3F)nc2)cc1.
What is the InChIKey of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
The InChIKey is INWLGYKOCCNHJR-IKXJNKEISA-N. The full InChI is InChI=1S/2C23H19F4N5O2/c2*1-2-34-18-7-3-15(4-8-18)16-5-10-21(28-12-16)23(26,27)22(33,13-32-14-29-30-31-32)19-9-6-17(24)11-20(19)25/h2*3-12,14,33H,2,13H2,1H3/t2*22-/m10/s1.
What are the key properties of (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol?
(2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol has a molecular weight of 946.86 g/mol, XLogP of 8.18, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol;(2S)-2-(2,4-difluorophenyl)-1-[5-(4-ethoxyphenyl)-2-pyridinyl]-1,1-difluoro-3-(tetrazol-1-yl)propan-2-ol is sourced from PubChem (CID 158754368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).