[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C51H59F4N7O5 — CID 159143575

About [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159143575) has the molecular formula C51H59F4N7O5 and a molecular weight of 926.07 g/mol. Its IUPAC name is [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159143575
• Molecular Formula: C51H59F4N7O5
• Molecular Weight: 926.07 g/mol
• Exact Mass: 925.45
• IUPAC Name: [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1-c1ccccc1.Cc1nc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)C
• InChI: InChI=1S/C28H31N3O3.C23H28F4N4O2/c1-20(32)24-10-12-26-28(29(2)17-18-31(24)26)13-15-30(16-14-28)27(33)22-9-11-25(34-3)23(19-22)21-7-5-4-6-8-21;1-14(2)33-18-6-5-17(28-15(18)3)21(32)30-9-7-22(8-10-30)20-16(24)13-19(23(25,26)27)31(20)12-11-29(22)4/h4-12,19H,13-18H2,1-3H3;5-6,13-14H,7-12H2,1-4H3
• InChIKey: KIKANVMOOMHQGE-UHFFFAOYSA-N
• XLogP: 8.66
• TPSA: 105.38 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	926.07
LogP ≤ 5	8.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159143575) is [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1-c1ccccc1.Cc1nc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.

What is the InChIKey of [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is KIKANVMOOMHQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3.C23H28F4N4O2/c1-20(32)24-10-12-26-28(29(2)17-18-31(24)26)13-15-30(16-14-28)27(33)22-9-11-25(34-3)23(19-22)21-7-5-4-6-8-21;1-14(2)33-18-6-5-17(28-15(18)3)21(32)30-9-7-22(8-10-30)20-16(24)13-19(23(25,26)27)31(20)12-11-29(22)4/h4-12,19H,13-18H2,1-3H3;5-6,13-14H,7-12H2,1-4H3.

What are the key properties of [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 926.07 g/mol, XLogP of 8.66, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159143575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).