tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid

C23H24FN3O3 — CID 66962702

IUPACtert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H24FN3O3/c1-22(2,3)27(21(28)29)20(16-8-10-19(24)11-9-16)23(30,17-6-4-12-25-14-17)18-7-5-13-26-15-18/h4-15,20,30H,1-3H3,(H,28,29)/t20-/m1/s1
InChIKeyFUIKWJHTEOOQDE-HXUWFJFHSA-N
MW409.46 g/mol
LogP4.37
Rot. Bonds5

About tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid

tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid (PubChem CID 66962702) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid
PubChem CID66962702
Molecular FormulaC23H24FN3O3
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC Nametert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C23H24FN3O3/c1-22(2,3)27(21(28)29)20(16-8-10-19(24)11-9-16)23(30,17-6-4-12-25-14-17)18-7-5-13-26-15-18/h4-15,20,30H,1-3H3,(H,28,29)/t20-/m1/s1
InChIKeyFUIKWJHTEOOQDE-HXUWFJFHSA-N
XLogP4.37
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-3-yl N-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-N-phenylcarbamate
CID 67011044
2-(4-fluoroanilino)-2-pyridin-3-ylpropanoic acid
CID 60991839
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
CID 67959177
N-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-4-phenylbutanamide
CID 57425638
[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl] N-(azetidin-3-yl)-N-phenylcarbamate
CID 151435095
2-(cyclobutylamino)-2-(4-fluorophenyl)-1,1-dipyridin-3-ylethanol
CID 66962287
2-(4-fluorophenyl)-2-(3-methylsulfanylazetidin-1-yl)-1,1-dipyridin-3-ylethanol
CID 66962922
3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one
CID 11696556
5-bromo-1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyridin-2-one
CID 66961791
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylpropanoic acid
CID 63704055
N-ethyl-3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-2-oxoimidazolidine-1-carboxamide
CID 66961873
2-[3-methoxypropyl(methyl)amino]-2-phenyl-1,1-dipyridin-3-ylethanol
CID 11567022

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid?
The IUPAC name of tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid (CID 66962702) is tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid.
What is the SMILES notation for tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid?
The canonical SMILES for tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid is CC(C)(C)N(C(=O)O)[C@H](c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid?
The InChIKey is FUIKWJHTEOOQDE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-22(2,3)27(21(28)29)20(16-8-10-19(24)11-9-16)23(30,17-6-4-12-25-14-17)18-7-5-13-26-15-18/h4-15,20,30H,1-3H3,(H,28,29)/t20-/m1/s1.
What are the key properties of tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid?
tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid has a molecular weight of 409.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(1R)-1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]carbamic acid is sourced from PubChem (CID 66962702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).