(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol

C44H42F6N4O2 — CID 157086797

IUPAC(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
SMILESCc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(C)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(C)cc3F)nc2)cc1
InChIInChI=1S/2C22H21F3N2O/c2*1-14-3-6-16(7-4-14)17-8-10-20(27-12-17)22(24,25)21(28,13-26)18-9-5-15(2)11-19(18)23/h2*3-12,28H,13,26H2,1-2H3/t2*21-/m10/s1
InChIKeyAEEKEWCGEQSCRW-FUAXNEBDSA-N
MW772.83 g/mol
LogP8.89
Rot. Bonds10

About (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol

(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol (PubChem CID 157086797) has the molecular formula C44H42F6N4O2 and a molecular weight of 772.83 g/mol. Its IUPAC name is (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol.

Molecular Properties

Compound Name(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
PubChem CID157086797
Molecular FormulaC44H42F6N4O2
Molecular Weight772.83 g/mol
Exact Mass772.32
IUPAC Name(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol
SMILESCc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(C)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(C)cc3F)nc2)cc1
InChIInChI=1S/2C22H21F3N2O/c2*1-14-3-6-16(7-4-14)17-8-10-20(27-12-17)22(24,25)21(28,13-26)18-9-5-15(2)11-19(18)23/h2*3-12,28H,13,26H2,1-2H3/t2*21-/m10/s1
InChIKeyAEEKEWCGEQSCRW-FUAXNEBDSA-N
XLogP8.89
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500772.83
LogP ≤ 58.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol with MolForge

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Related Compounds

SR2211
CID 51035449
1,1,1,3,3,3-Hexafluoro-2-(4'-((4-(1-(pyridin-4-yl)ethyl)piperazin-1-yl)methyl)-[1,1'-biphenyl]-4-yl)propan-2-ol
CID 71470550
1,1-Bis(2-fluoro-3-pyridinyl)-2-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]ethanol
CID 137647028
US9802918, Example 67
CID 124089490
US9802918, Example 105
CID 124089599
2-(4-Fluorophenyl)-4-(4-hydroxypiperidin-4-yl)-3-(pyridin-4-yl)-1H-pyrrole
CID 9819174
Diphenyl(1-(4-(pyridin-3-yl)phenethyl)piperidin-4-yl)methanol
CID 118322594
(2-Fluorophenyl)-pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
CID 56682630
1-(2,2-Diphenylethyl)-4-(5-methylpyridin-2-yl)piperidin-4-ol
CID 56746316
(2R,3S)-3-isoquinolin-1-yl-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 139121135
Bis(4-methylphenyl)-pyridin-2-ylmethanol
CID 230499
1-[(3-Fluoro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)phenyl]-4-piperidinol
CID 56914563

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol?
The IUPAC name of (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol (CID 157086797) is (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol.
What is the SMILES notation for (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol?
The canonical SMILES for (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol is Cc1ccc(-c2ccc(C(F)(F)[C@@](O)(CN)c3ccc(C)cc3F)nc2)cc1.Cc1ccc(-c2ccc(C(F)(F)[C@](O)(CN)c3ccc(C)cc3F)nc2)cc1.
What is the InChIKey of (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol?
The InChIKey is AEEKEWCGEQSCRW-FUAXNEBDSA-N. The full InChI is InChI=1S/2C22H21F3N2O/c2*1-14-3-6-16(7-4-14)17-8-10-20(27-12-17)22(24,25)21(28,13-26)18-9-5-15(2)11-19(18)23/h2*3-12,28H,13,26H2,1-2H3/t2*21-/m10/s1.
What are the key properties of (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol?
(2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol has a molecular weight of 772.83 g/mol, XLogP of 8.89, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol;(2S)-3-amino-1,1-difluoro-2-(2-fluoro-4-methylphenyl)-1-[5-(4-methylphenyl)-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 157086797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).