1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C79H97F6N9O10S — CID 157128565

About 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157128565) has the molecular formula C79H97F6N9O10S and a molecular weight of 1478.75 g/mol. Its IUPAC name is 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157128565
• Molecular Formula: C79H97F6N9O10S
• Molecular Weight: 1478.75 g/mol
• Exact Mass: 1477.70
• IUPAC Name: 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC3CCOCC3)cc1)CC2.CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CC2.[H][H]
• InChI: InChI=1S/C28H37N3O2.C26H30F3N3O4.C25H28F3N3O4S.H2/c1-20(32)24-13-14-25-28(29-27(2,3)19-31(24)25)15-17-30(18-16-28)26(33)23-11-9-22(10-12-23)21-7-5-4-6-8-21;1-30-14-15-32-21(23(33)26(27,28)29)6-7-22(32)25(30)10-12-31(13-11-25)24(34)18-2-4-19(5-3-18)36-20-8-16-35-17-9-20;1-23(9-10-23)21(32)19-7-8-20-24(29(2)15-16-31(19)20)11-13-30(14-12-24)22(33)17-3-5-18(6-4-17)36(34,35)25(26,27)28;/h9-14,21,29H,4-8,15-19H2,1-3H3;2-7,20H,8-17H2,1H3;3-8H,9-16H2,1-2H3;1H
• InChIKey: AIUBXTBLQUVPBG-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 198.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1478.75
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157128565) is 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(=O)c1ccc2n1CC(C)(C)NC21CCN(C(=O)c2ccc(C3CCCCC3)cc2)CC1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC3CCOCC3)cc1)CC2.CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)CC2.[H][H].

What is the InChIKey of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is AIUBXTBLQUVPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2.C26H30F3N3O4.C25H28F3N3O4S.H2/c1-20(32)24-13-14-25-28(29-27(2,3)19-31(24)25)15-17-30(18-16-28)26(33)23-11-9-22(10-12-23)21-7-5-4-6-8-21;1-30-14-15-32-21(23(33)26(27,28)29)6-7-22(32)25(30)10-12-31(13-11-25)24(34)18-2-4-19(5-3-18)36-20-8-16-35-17-9-20;1-23(9-10-23)21(32)19-7-8-20-24(29(2)15-16-31(19)20)11-13-30(14-12-24)22(33)17-3-5-18(6-4-17)36(34,35)25(26,27)28;/h9-14,21,29H,4-8,15-19H2,1-3H3;2-7,20H,8-17H2,1H3;3-8H,9-16H2,1-2H3;1H.

What are the key properties of 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1478.75 g/mol, XLogP of 13.21, 11 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(oxan-4-yloxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157128565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).