[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C97H116F13N13O10S — CID 157144788

About [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157144788) has the molecular formula C97H116F13N13O10S and a molecular weight of 1903.12 g/mol. Its IUPAC name is [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157144788
• Molecular Formula: C97H116F13N13O10S
• Molecular Weight: 1903.12 g/mol
• Exact Mass: 1901.85
• IUPAC Name: [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCC1CN(C)C2(CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)c2ccc(C(F)(F)F)n21.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)c(F)c1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.Cc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1C(C)(C)O.[H][H].[H][H]
• InChI: InChI=1S/C27H25F4N3O2.C26H34F3N3O3.C23H28F3N3O2.C21H25F3N4O3S.2H2/c1-32-15-16-34-22(24(35)27(29,30)31)9-10-23(34)26(32)11-13-33(14-12-26)25(36)19-7-8-20(21(28)17-19)18-5-3-2-4-6-18;1-6-19-16-30(4)25(22-9-10-23(32(19)22)26(27,28)29)11-13-31(14-12-25)24(33)18-7-8-20(35-17(2)3)21(15-18)34-5;1-15-14-16(4-5-17(15)21(2,3)31)20(30)28-11-8-22(9-12-28)18-6-7-19(23(24,25)26)29(18)13-10-27-22;1-25-32(30,31)16-5-3-15(4-6-16)19(29)27-11-9-20(10-12-27)17-7-8-18(21(22,23)24)28(17)14-13-26(20)2;;/h2-10,17H,11-16H2,1H3;7-10,15,17,19H,6,11-14,16H2,1-5H3;4-7,14,27,31H,8-13H2,1-3H3;3-8,25H,9-14H2,1-2H3;2*1H
• InChIKey: AKOVAUTZCSQCBW-UHFFFAOYSA-N
• XLogP: 17.21
• TPSA: 224.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1903.12
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157144788) is [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCC1CN(C)C2(CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)c2ccc(C(F)(F)F)n21.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)c(F)c1)CC2.CNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.Cc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1C(C)(C)O.[H][H].[H][H].

What is the InChIKey of [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is AKOVAUTZCSQCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F4N3O2.C26H34F3N3O3.C23H28F3N3O2.C21H25F3N4O3S.2H2/c1-32-15-16-34-22(24(35)27(29,30)31)9-10-23(34)26(32)11-13-33(14-12-26)25(36)19-7-8-20(21(28)17-19)18-5-3-2-4-6-18;1-6-19-16-30(4)25(22-9-10-23(32(19)22)26(27,28)29)11-13-31(14-12-25)24(33)18-7-8-20(35-17(2)3)21(15-18)34-5;1-15-14-16(4-5-17(15)21(2,3)31)20(30)28-11-8-22(9-12-28)18-6-7-19(23(24,25)26)29(18)13-10-27-22;1-25-32(30,31)16-5-3-15(4-6-16)19(29)27-11-9-20(10-12-27)17-7-8-18(21(22,23)24)28(17)14-13-26(20)2;;/h2-10,17H,11-16H2,1H3;7-10,15,17,19H,6,11-14,16H2,1-5H3;4-7,14,27,31H,8-13H2,1-3H3;3-8,25H,9-14H2,1-2H3;2*1H.

What are the key properties of [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1903.12 g/mol, XLogP of 17.21, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;N-methyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157144788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).