[2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C101H120F12N12O13S2 — CID 159844123

About [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159844123) has the molecular formula C101H120F12N12O13S2 and a molecular weight of 2002.25 g/mol. Its IUPAC name is [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159844123
• Molecular Formula: C101H120F12N12O13S2
• Molecular Weight: 2002.25 g/mol
• Exact Mass: 2000.83
• IUPAC Name: [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1S(C)(=O)=O.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CCO)ccc1OC(C)C.Cc1cc(S(=O)(=O)C(C)C)ccc1C(=O)N1CCC2(CC1)c1ccc(C(=O)C(F)(F)F)n1CCN2C.[H][H]
• InChI: InChI=1S/C26H26F3N3O2.2C25H30F3N3O4S.C25H32F3N3O3.H2/c1-30-17-18-32-22(11-12-23(32)26(27,28)29)25(30)13-15-31(16-14-25)24(33)19-7-9-21(10-8-19)34-20-5-3-2-4-6-20;1-16(2)18-6-5-17(15-20(18)36(4,34)35)23(33)30-11-9-24(10-12-30)21-8-7-19(22(32)25(26,27)28)31(21)14-13-29(24)3;1-16(2)36(34,35)18-5-6-19(17(3)15-18)23(33)30-11-9-24(10-12-30)21-8-7-20(22(32)25(26,27)28)31(21)14-13-29(24)4;1-17(2)34-20-5-4-19(16-18(20)3)23(33)29-10-8-24(9-11-29)21-6-7-22(25(26,27)28)31(21)13-12-30(24)14-15-32;/h2-12H,13-18H2,1H3;2*5-8,15-16H,9-14H2,1-4H3;4-7,16-17,32H,8-15H2,1-3H3;1H
• InChIKey: NPBNRJKMSWKDBQ-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 255.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2002.25
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159844123) is [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1S(C)(=O)=O.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(Oc3ccccc3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3CCO)ccc1OC(C)C.Cc1cc(S(=O)(=O)C(C)C)ccc1C(=O)N1CCC2(CC1)c1ccc(C(=O)C(F)(F)F)n1CCN2C.[H][H].

What is the InChIKey of [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is NPBNRJKMSWKDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2.2C25H30F3N3O4S.C25H32F3N3O3.H2/c1-30-17-18-32-22(11-12-23(32)26(27,28)29)25(30)13-15-31(16-14-25)24(33)19-7-9-21(10-8-19)34-20-5-3-2-4-6-20;1-16(2)18-6-5-17(15-20(18)36(4,34)35)23(33)30-11-9-24(10-12-30)21-8-7-19(22(32)25(26,27)28)31(21)14-13-29(24)3;1-16(2)36(34,35)18-5-6-19(17(3)15-18)23(33)30-11-9-24(10-12-30)21-8-7-20(22(32)25(26,27)28)31(21)14-13-29(24)4;1-17(2)34-20-5-4-19(16-18(20)3)23(33)29-10-8-24(9-11-29)21-6-7-22(25(26,27)28)31(21)13-12-30(24)14-15-32;/h2-12H,13-18H2,1H3;2*5-8,15-16H,9-14H2,1-4H3;4-7,16-17,32H,8-15H2,1-3H3;1H.

What are the key properties of [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 2002.25 g/mol, XLogP of 17.30, 16 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-hydroxyethyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-phenoxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-(2-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methylsulfonyl-4-propan-2-ylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159844123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).