[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone

C25H28F3N3O3 — CID 59054105

IUPAC[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
SMILESCN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C25H28F3N3O3/c1-23(7-8-23)21(33)18-4-6-20-24(29(2)13-14-31(18)20)9-11-30(12-10-24)22(34)16-3-5-19(32)17(15-16)25(26,27)28/h3-6,15,32H,7-14H2,1-2H3
InChIKeyFGCGAXHANQZCHM-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.27
Rot. Bonds3

About [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone

[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone (PubChem CID 59054105) has the molecular formula C25H28F3N3O3 and a molecular weight of 475.51 g/mol. Its IUPAC name is [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone.

Molecular Properties

Compound Name[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
PubChem CID59054105
Molecular FormulaC25H28F3N3O3
Molecular Weight475.51 g/mol
Exact Mass475.21
IUPAC Name[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
SMILESCN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2
InChIInChI=1S/C25H28F3N3O3/c1-23(7-8-23)21(33)18-4-6-20-24(29(2)13-14-31(18)20)9-11-30(12-10-24)22(34)16-3-5-19(32)17(15-16)25(26,27)28/h3-6,15,32H,7-14H2,1-2H3
InChIKeyFGCGAXHANQZCHM-UHFFFAOYSA-N
XLogP4.27
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone with MolForge

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Related Compounds

2,2,2-trifluoro-1-[2-methyl-1'-(4-pentylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 59054446
molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-5-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 161050925
[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 88859102
ethyl 2-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-oxoacetate
CID 142770216
[4-bromo-3-(trifluoromethyl)phenyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103800392
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-pentylphenyl)methanone
CID 59054029
2,2,2-trifluoro-1-[(3R)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,2',3-trimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 59054445
(3,4-dihydroxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 107728799
[4-fluoro-3-(trifluoromethyl)phenyl]-[(5R)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 95043075
4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-ethylbenzenesulfonamide
CID 59054097
(3,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103956121

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?
The IUPAC name of [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone (CID 59054105) is [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone.
What is the SMILES notation for [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?
The canonical SMILES for [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone is CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2.
What is the InChIKey of [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?
The InChIKey is FGCGAXHANQZCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N3O3/c1-23(7-8-23)21(33)18-4-6-20-24(29(2)13-14-31(18)20)9-11-30(12-10-24)22(34)16-3-5-19(32)17(15-16)25(26,27)28/h3-6,15,32H,7-14H2,1-2H3.
What are the key properties of [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone?
[4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone has a molecular weight of 475.51 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(trifluoromethyl)phenyl]-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone is sourced from PubChem (CID 59054105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).