Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C₉₉H₁₂₂F₁₃N₁₃O₁₁ — CID 157082578

About Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 157082578) has the molecular formula C₉₉H₁₂₂F₁₃N₁₃O₁₁ and a molecular weight of 1917.12 g/mol. Its IUPAC name is cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 157082578
• Molecular Formula: C₉₉H₁₂₂F₁₃N₁₃O₁₁
• Molecular Weight: 1917.12 g/mol
• Exact Mass: 1915.92
• IUPAC Name: cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1C#N.COc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1C(C)(C)CO.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1C(F)(F)F.Cc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H32F3N3O3.C25H28F3N3O3.C24H26F4N4O2.C24H30F3N3O3.3H2/c1-16(2)35-20-8-6-18(14-17(20)3)23(34)31-12-10-25(11-13-31)21-9-7-19(22(33)26(27,28)29)32(21)15-24(4,5)30-25;1-29-13-14-31-19(22(32)16-3-4-16)6-8-21(31)24(29)9-11-30(12-10-24)23(33)17-5-7-20(34-2)18(15-17)25(26,27)28;1-15(2)34-19-5-4-16(12-17(19)14-29)22(33)31-8-6-23(7-9-31)21-18(25)13-20(24(26,27)28)32(21)11-10-30(23)3;1-22(2,15-31)17-5-4-16(14-18(17)33-3)21(32)29-11-8-23(9-12-29)19-6-7-20(24(25,26)27)30(19)13-10-28-23;;;/h6-9,14,16,30H,10-13,15H2,1-5H3;5-8,15-16H,3-4,9-14H2,1-2H3;4-5,12-13,15H,6-11H2,1-3H3;4-7,14,28,31H,8-13,15H2,1-3H3;3*1H
• InChIKey: ADSKDVATDCBGPN-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 246.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1917.12
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 157082578) is cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1C#N.COc1cc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)ccc1C(C)(C)CO.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1C(F)(F)F.Cc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1OC(C)C.[H][H].[H][H].[H][H].

What is the InChIKey of Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is ADSKDVATDCBGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O3.C25H28F3N3O3.C24H26F4N4O2.C24H30F3N3O3.3H2/c1-16(2)35-20-8-6-18(14-17(20)3)23(34)31-12-10-25(11-13-31)21-9-7-19(22(33)26(27,28)29)32(21)15-24(4,5)30-25;1-29-13-14-31-19(22(32)16-3-4-16)6-8-21(31)24(29)9-11-30(12-10-24)23(33)17-5-7-20(34-2)18(15-17)25(26,27)28;1-15(2)34-19-5-4-16(12-17(19)14-29)22(33)31-8-6-23(7-9-31)21-18(25)13-20(24(26,27)28)32(21)11-10-30(23)3;1-22(2,15-31)17-5-4-16(14-18(17)33-3)21(32)29-11-8-23(9-12-29)19-6-7-20(24(25,26)27)30(19)13-10-28-23;;;/h6-9,14,16,30H,10-13,15H2,1-5H3;5-8,15-16H,3-4,9-14H2,1-2H3;4-5,12-13,15H,6-11H2,1-3H3;4-7,14,28,31H,8-13,15H2,1-3H3;3*1H.

What are the key properties of Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1917.12 g/mol, XLogP of 17.67, 15 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopropyl-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;5-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-2-propan-2-yloxybenzonitrile;[4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 157082578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157082578 — identifiers, structure, computed properties (public domain)

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