1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

C25H24F3N3O3 — CID 177245293

IUPAC1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESNc1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1OCCN1CCCC1=O
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)20-6-1-4-17(12-20)16-34-21-7-2-5-18(13-21)19-14-22(29)24(30-15-19)33-11-10-31-9-3-8-23(31)32/h1-2,4-7,12-15H,3,8-11,16,29H2
InChIKeyDDEZUQARZXAWIM-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.93
Rot. Bonds8

About 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one

1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (PubChem CID 177245293) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
PubChem CID177245293
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one
SMILESNc1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1OCCN1CCCC1=O
InChIInChI=1S/C25H24F3N3O3/c26-25(27,28)20-6-1-4-17(12-20)16-34-21-7-2-5-18(13-21)19-14-22(29)24(30-15-19)33-11-10-31-9-3-8-23(31)32/h1-2,4-7,12-15H,3,8-11,16,29H2
InChIKeyDDEZUQARZXAWIM-UHFFFAOYSA-N
XLogP4.93
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-3-nitro-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine
CID 177245623
4-(2-phenoxyethyl)-1-[2-[3-(trifluoromethyl)phenyl]acetyl]-1,4-diazepan-5-one
CID 26397281
1-[2-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
N-[2-methoxy-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinyl]propane-2-sulfonamide
CID 177245705
CID 177245652
CID 177245652
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
1-[2-(4-phenylphenoxy)ethyl]pyrrolidin-2-one
CID 94702209
1-ethyl-2-[3-(2-oxopyrrolidin-1-yl)propyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]guanidine
CID 111146945
1-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-[2-[3-(trifluoromethyl)phenoxy]ethyl]urea
CID 78890451

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one (CID 177245293) is 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is Nc1cc(-c2cccc(OCc3cccc(C(F)(F)F)c3)c2)cnc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
The InChIKey is DDEZUQARZXAWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c26-25(27,28)20-6-1-4-17(12-20)16-34-21-7-2-5-18(13-21)19-14-22(29)24(30-15-19)33-11-10-31-9-3-8-23(31)32/h1-2,4-7,12-15H,3,8-11,16,29H2.
What are the key properties of 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one?
1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one has a molecular weight of 471.48 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-amino-5-[3-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2-pyridinyl]oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 177245293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).