cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

C23H25F3N2O — CID 110263943

IUPACcyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H25F3N2O/c24-23(25,26)19-8-3-5-16(14-19)13-17-10-11-20(27-15-17)21-9-4-12-28(21)22(29)18-6-1-2-7-18/h3,5,8,10-11,14-15,18,21H,1-2,4,6-7,9,12-13H2
InChIKeyYSVGBHCKBXESME-UHFFFAOYSA-N
MW402.46 g/mol
LogP5.54
Rot. Bonds4

About cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone

cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 110263943) has the molecular formula C23H25F3N2O and a molecular weight of 402.46 g/mol. Its IUPAC name is cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID110263943
Molecular FormulaC23H25F3N2O
Molecular Weight402.46 g/mol
Exact Mass402.19
IUPAC Namecyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCC1)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H25F3N2O/c24-23(25,26)19-8-3-5-16(14-19)13-17-10-11-20(27-15-17)21-9-4-12-28(21)22(29)18-6-1-2-7-18/h3,5,8,10-11,14-15,18,21H,1-2,4,6-7,9,12-13H2
InChIKeyYSVGBHCKBXESME-UHFFFAOYSA-N
XLogP5.54
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302
(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263955
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 92615622
3-(tetrazol-1-yl)-1-[(2R)-2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 92615273
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 99950649
2-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-1-carboxylate
CID 154244901
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92616522
3-pyrazol-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615571
3-pyrazol-1-yl-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92615570
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
3-(tetrazol-1-yl)-1-[(3R)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92616533

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 110263943) is cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is O=C(C1CCCC1)N1CCCC1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is YSVGBHCKBXESME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O/c24-23(25,26)19-8-3-5-16(14-19)13-17-10-11-20(27-15-17)21-9-4-12-28(21)22(29)18-6-1-2-7-18/h3,5,8,10-11,14-15,18,21H,1-2,4,6-7,9,12-13H2.
What are the key properties of cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 402.46 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110263943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).