(4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone

C73H84ClF14N9O8S — CID 161912938

About (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone

(4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone (PubChem CID 161912938) has the molecular formula C73H84ClF14N9O8S and a molecular weight of 1549.00 g/mol. Its IUPAC name is (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone.

Molecular Properties

• Compound Name: (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone
• PubChem CID: 161912938
• Molecular Formula: C73H84ClF14N9O8S
• Molecular Weight: 1549.00 g/mol
• Exact Mass: 1547.56
• IUPAC Name: (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone
• SMILES: C[C@H]1CN2C(=CC=C2C3(N1C)CCN(CC3)C(=O)C4=CC=C(C=C4)OCC(F)(F)F)C(=O)C(F)(F)F.CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)C4=C(C=C(N4CCN3C)C(F)(F)F)Cl)C(C)(C)O.CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=CC=C(N4CCN3C)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C25H30F5N3O3S.C24H29ClF3N3O2.C24H25F6N3O3/c1-22(2,3)37(35,36)18-7-5-17(6-8-18)21(34)32-13-11-23(12-14-32)19-9-10-20(24(26,27)25(28,29)30)33(19)16-15-31(23)4;1-15-13-16(5-6-17(15)22(2,3)33)21(32)30-9-7-23(8-10-30)20-18(25)14-19(24(26,27)28)31(20)12-11-29(23)4;1-15-13-33-18(20(34)24(28,29)30)7-8-19(33)22(31(15)2)9-11-32(12-10-22)21(35)16-3-5-17(6-4-16)36-14-23(25,26)27/h5-10H,11-16H2,1-4H3;5-6,13-14,33H,7-12H2,1-4H3;3-8,15H,9-14H2,1-2H3/t;;15-/m..0/s1
• InChIKey: YGYQLUYUDOLOHS-BDPULHTRSA-N
• XLogP: —
• TPSA: 174.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 10
• Heavy Atoms: 106
• Complexity: 2520

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1549.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone?

The IUPAC name of (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone (CID 161912938) is (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone.

What is the SMILES notation for (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone?

The canonical SMILES for (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone is C[C@H]1CN2C(=CC=C2C3(N1C)CCN(CC3)C(=O)C4=CC=C(C=C4)OCC(F)(F)F)C(=O)C(F)(F)F.CC1=C(C=CC(=C1)C(=O)N2CCC3(CC2)C4=C(C=C(N4CCN3C)C(F)(F)F)Cl)C(C)(C)O.CC(C)(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC3(CC2)C4=CC=C(N4CCN3C)C(C(F)(F)F)(F)F.

What is the InChIKey of (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone?

The InChIKey is YGYQLUYUDOLOHS-BDPULHTRSA-N. The full InChI is InChI=1S/C25H30F5N3O3S.C24H29ClF3N3O2.C24H25F6N3O3/c1-22(2,3)37(35,36)18-7-5-17(6-8-18)21(34)32-13-11-23(12-14-32)19-9-10-20(24(26,27)25(28,29)30)33(19)16-15-31(23)4;1-15-13-16(5-6-17(15)22(2,3)33)21(32)30-9-7-23(8-10-30)20-18(25)14-19(24(26,27)28)31(20)12-11-29(23)4;1-15-13-33-18(20(34)24(28,29)30)7-8-19(33)22(31(15)2)9-11-32(12-10-22)21(35)16-3-5-17(6-4-16)36-14-23(25,26)27/h5-10H,11-16H2,1-4H3;5-6,13-14,33H,7-12H2,1-4H3;3-8,15H,9-14H2,1-2H3/t;;15-/m..0/s1.

What are the key properties of (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone?

(4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone has a molecular weight of 1549.00 g/mol, XLogP of not available, 10 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylsulfonylphenyl)-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;1-[(3S)-2,3-dimethyl-1'-[4-(2,2,2-trifluoroethoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 161912938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).