[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen

C97H118ClF15N12O10 — CID 158994487

About [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen (PubChem CID 158994487) has the molecular formula C97H118ClF15N12O10 and a molecular weight of 1932.51 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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen.

Molecular Properties

• Compound Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen
• PubChem CID: 158994487
• Molecular Formula: C97H118ClF15N12O10
• Molecular Weight: 1932.51 g/mol
• Exact Mass: 1930.85
• IUPAC Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen
• SMILES: CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2.CN1CCn2c(C(F)(F)F)cc(Cl)c2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)ccc1OCCCO.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1C(C)(C)O.[H][H]
• InChI: InChI=1S/C25H30F5N3O3.C25H30F3N3O3.C24H30F3N3O2.C23H26ClF4N3O2.H2/c1-17-16-18(4-5-19(17)36-15-3-14-34)22(35)32-10-8-23(9-11-32)20-6-7-21(24(26,27)25(28,29)30)33(20)13-12-31(23)2;1-23(2,3)21(33)18-6-8-20-24(29(4)13-14-31(18)20)9-11-30(12-10-24)22(34)16-5-7-19(32)17(15-16)25(26,27)28;1-16-15-17(5-6-18(16)22(2,3)32)21(31)29-11-9-23(10-12-29)19-7-8-20(24(25,26)27)30(19)14-13-28(23)4;1-21(2,33)15-5-4-14(12-17(15)25)20(32)30-8-6-22(7-9-30)19-16(24)13-18(23(26,27)28)31(19)11-10-29(22)3;/h4-7,16,34H,3,8-15H2,1-2H3;5-8,15,32H,9-14H2,1-4H3;5-8,15,32H,9-14H2,1-4H3;4-5,12-13,33H,6-11H2,1-3H3;1H
• InChIKey: JQOMBYYJKSADAU-UHFFFAOYSA-N
• XLogP: 17.78
• TPSA: 221.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1932.51
LogP ≤ 5	17.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen?

The IUPAC name of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen (CID 158994487) is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen.

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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen?

The canonical SMILES for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen is CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(O)c(C(F)(F)F)c1)CC2.CN1CCn2c(C(F)(F)F)cc(Cl)c2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)ccc1OCCCO.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1C(C)(C)O.[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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen?

The InChIKey is JQOMBYYJKSADAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F5N3O3.C25H30F3N3O3.C24H30F3N3O2.C23H26ClF4N3O2.H2/c1-17-16-18(4-5-19(17)36-15-3-14-34)22(35)32-10-8-23(9-11-32)20-6-7-21(24(26,27)25(28,29)30)33(20)13-12-31(23)2;1-23(2,3)21(33)18-6-8-20-24(29(4)13-14-31(18)20)9-11-30(12-10-24)22(34)16-5-7-19(32)17(15-16)25(26,27)28;1-16-15-17(5-6-18(16)22(2,3)32)21(31)29-11-9-23(10-12-29)19-7-8-20(24(25,26)27)30(19)14-13-28(23)4;1-21(2,33)15-5-4-14(12-17(15)25)20(32)30-8-6-22(7-9-30)19-16(24)13-18(23(26,27)28)31(19)11-10-29(22)3;/h4-7,16,34H,3,8-15H2,1-2H3;5-8,15,32H,9-14H2,1-4H3;5-8,15,32H,9-14H2,1-4H3;4-5,12-13,33H,6-11H2,1-3H3;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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen?

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen has a molecular weight of 1932.51 g/mol, XLogP of 17.78, 12 rotatable bonds, 4 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]-[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]methanone;[4-(2-hydroxypropan-2-yl)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[4-hydroxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen is sourced from PubChem (CID 158994487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).