[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone

C24H29F4N3O2 — CID 59054175

IUPAC[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F
InChIInChI=1S/C24H29F4N3O2/c1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)14-22(3,4)29-23/h5-8,13,15,29H,9-12,14H2,1-4H3
InChIKeyIBIUKFQMWLCRHX-UHFFFAOYSA-N
MW467.51 g/mol
LogP4.95
Rot. Bonds3

About [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone

[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone (PubChem CID 59054175) has the molecular formula C24H29F4N3O2 and a molecular weight of 467.51 g/mol. Its IUPAC name is [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
PubChem CID59054175
Molecular FormulaC24H29F4N3O2
Molecular Weight467.51 g/mol
Exact Mass467.22
IUPAC Name[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F
InChIInChI=1S/C24H29F4N3O2/c1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)14-22(3,4)29-23/h5-8,13,15,29H,9-12,14H2,1-4H3
InChIKeyIBIUKFQMWLCRHX-UHFFFAOYSA-N
XLogP4.95
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone (CID 59054175) is [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(F)(F)F)ccc23)cc1F.
What is the InChIKey of [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone?
The InChIKey is IBIUKFQMWLCRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F4N3O2/c1-15(2)33-18-6-5-16(13-17(18)25)21(32)30-11-9-23(10-12-30)19-7-8-20(24(26,27)28)31(19)14-22(3,4)29-23/h5-8,13,15,29H,9-12,14H2,1-4H3.
What are the key properties of [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone?
[3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone has a molecular weight of 467.51 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 59054175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).