1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C96H115Cl2F11N12O11S — CID 158457978

About 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158457978) has the molecular formula C96H115Cl2F11N12O11S and a molecular weight of 1925.00 g/mol. Its IUPAC name is 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158457978
• Molecular Formula: C96H115Cl2F11N12O11S
• Molecular Weight: 1925.00 g/mol
• Exact Mass: 1922.77
• IUPAC Name: 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2C[C@@H](C)N3C)c(F)c1.CN1CC(C)(C)n2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1S(=O)(=O)C(C)C
• InChI: InChI=1S/C26H31F4N3O3.C24H29F4N3O2.C23H25ClF3N3O3.C23H30ClN3O3S/c1-23(2)15-31(5)25(20-9-8-19(33(20)23)21(34)26(28,29)30)10-12-32(13-11-25)22(35)16-6-7-17(18(27)14-16)24(3,4)36;1-15(2)33-17-5-6-18(19(25)13-17)22(32)30-11-9-23(10-12-30)20-7-8-21(24(26,27)28)31(20)14-16(3)29(23)4;1-14-13-28(2)22(19-7-5-17(30(14)19)20(31)23(25,26)27)8-10-29(11-9-22)21(32)15-4-6-18(33-3)16(24)12-15;1-16(2)31(29,30)19-6-5-18(15-17(19)3)22(28)26-11-9-23(10-12-26)20-7-8-21(24)27(20)14-13-25(23)4/h6-9,14,36H,10-13,15H2,1-5H3;5-8,13,15-16H,9-12,14H2,1-4H3;4-7,12,14H,8-11,13H2,1-3H3;5-8,15-16H,9-14H2,1-4H3/t;16-;;/m.1../s1
• InChIKey: HEUQAQCYMSQZEP-WMVBMBIMSA-N
• XLogP: 17.55
• TPSA: 220.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.00
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158457978) is 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2C[C@@H](C)N3C)c(F)c1.CN1CC(C)(C)n2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1S(=O)(=O)C(C)C.

What is the InChIKey of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is HEUQAQCYMSQZEP-WMVBMBIMSA-N. The full InChI is InChI=1S/C26H31F4N3O3.C24H29F4N3O2.C23H25ClF3N3O3.C23H30ClN3O3S/c1-23(2)15-31(5)25(20-9-8-19(33(20)23)21(34)26(28,29)30)10-12-32(13-11-25)22(35)16-6-7-17(18(27)14-16)24(3,4)36;1-15(2)33-17-5-6-18(19(25)13-17)22(32)30-11-9-23(10-12-30)20-7-8-21(24(26,27)28)31(20)14-16(3)29(23)4;1-14-13-28(2)22(19-7-5-17(30(14)19)20(31)23(25,26)27)8-10-29(11-9-22)21(32)15-4-6-18(33-3)16(24)12-15;1-16(2)31(29,30)19-6-5-18(15-17(19)3)22(28)26-11-9-23(10-12-26)20-7-8-21(24)27(20)14-13-25(23)4/h6-9,14,36H,10-13,15H2,1-5H3;5-8,13,15-16H,9-12,14H2,1-4H3;4-7,12,14H,8-11,13H2,1-3H3;5-8,15-16H,9-14H2,1-4H3/t;16-;;/m.1../s1.

What are the key properties of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1925.00 g/mol, XLogP of 17.55, 12 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;[(3R)-2,3-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158457978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).