[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone

C101H129Cl2F9N12O11 — CID 160879541

About [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone (PubChem CID 160879541) has the molecular formula C101H129Cl2F9N12O11 and a molecular weight of 1929.10 g/mol. Its IUPAC name is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone.

Molecular Properties

• Compound Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
• PubChem CID: 160879541
• Molecular Formula: C101H129Cl2F9N12O11
• Molecular Weight: 1929.10 g/mol
• Exact Mass: 1926.91
• IUPAC Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone
• SMILES: CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1.CCC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC(C)C)c(Cl)c1)CC2.CCOc1ccc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)cc1C.Cc1cc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)ccc1C(C)(C)O.[H][H].[H][H]
• InChI: InChI=1S/C27H34F3N3O3.C26H35N3O3.C25H29ClF3N3O3.C23H27ClF3N3O2.2H2/c1-17-13-18(7-8-20(17)25(4,5)36)23(35)32-11-9-26(10-12-32)21-14-19(22(34)27(28,29)30)15-33(21)24(2,3)16-31(26)6;1-17(2)32-22-9-7-20(15-18(22)3)24(31)28-13-11-26(12-14-28)23-10-8-21(19(4)30)29(23)16-25(5,6)27-26;1-4-22(33)32-14-13-31-20(7-8-21(31)25(27,28)29)24(32)9-11-30(12-10-24)23(34)17-5-6-19(18(26)15-17)35-16(2)3;1-4-32-18-6-5-16(13-15(18)2)21(31)29-9-7-22(8-10-29)20-17(24)14-19(23(25,26)27)30(20)12-11-28(22)3;;/h7-8,13-15,36H,9-12,16H2,1-6H3;7-10,15,17,27H,11-14,16H2,1-6H3;5-8,15-16H,4,9-14H2,1-3H3;5-6,13-14H,4,7-12H2,1-3H3;2*1H
• InChIKey: SMVVOFCZHUYXHS-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 221.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.10
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?

The IUPAC name of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone (CID 160879541) is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone.

What is the SMILES notation for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?

The canonical SMILES for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone is CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1.CCC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC(C)C)c(Cl)c1)CC2.CCOc1ccc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)cc1C.Cc1cc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)ccc1C(C)(C)O.[H][H].[H][H].

What is the InChIKey of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?

The InChIKey is SMVVOFCZHUYXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O3.C26H35N3O3.C25H29ClF3N3O3.C23H27ClF3N3O2.2H2/c1-17-13-18(7-8-20(17)25(4,5)36)23(35)32-11-9-26(10-12-32)21-14-19(22(34)27(28,29)30)15-33(21)24(2,3)16-31(26)6;1-17(2)32-22-9-7-20(15-18(22)3)24(31)28-13-11-26(12-14-28)23-10-8-21(19(4)30)29(23)16-25(5,6)27-26;1-4-22(33)32-14-13-31-20(7-8-21(31)25(27,28)29)24(32)9-11-30(12-10-24)23(34)17-5-6-19(18(26)15-17)35-16(2)3;1-4-32-18-6-5-16(13-15(18)2)21(31)29-9-7-22(8-10-29)20-17(24)14-19(23(25,26)27)30(20)12-11-28(22)3;;/h7-8,13-15,36H,9-12,16H2,1-6H3;7-10,15,17,27H,11-14,16H2,1-6H3;5-8,15-16H,4,9-14H2,1-3H3;5-6,13-14H,4,7-12H2,1-3H3;2*1H.

What are the key properties of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone?

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone has a molecular weight of 1929.10 g/mol, XLogP of 19.65, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-ethoxy-3-methylphenyl)methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-yl]propan-1-one;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone is sourced from PubChem (CID 160879541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).