[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen

C101H127ClF13N13O11 — CID 159730745

About [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen (PubChem CID 159730745) has the molecular formula C101H127ClF13N13O11 and a molecular weight of 1981.63 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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen
• PubChem CID: 159730745
• Molecular Formula: C101H127ClF13N13O11
• Molecular Weight: 1981.63 g/mol
• Exact Mass: 1979.93
• IUPAC Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen
• SMILES: CC(=O)c1ccc2n1C(C)(C)CN(C)C21CCN(C(=O)c2ccc(C(C)(C)O)c(F)c2)CC1.CN1CCn2c(C(F)(F)F)cc(Cl)c2C12CCN(C(=O)c1ccc(C3(O)CCC3)cc1)CC2.CN1CCn2c(ccc2C(F)(F)C(F)(F)F)C12CCN(C(=O)c1ccc(CC(C)(C)O)c(F)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C(=O)N(C)C)ccc1OC(C)C.[H][H].[H][H]
• InChI: InChI=1S/C26H33F3N4O4.C26H34FN3O3.C25H29F6N3O2.C24H27ClF3N3O2.2H2/c1-17(2)37-19-7-6-18(16-20(19)36-5)23(34)31-12-10-25(11-13-31)21-8-9-22(26(27,28)29)32(21)14-15-33(25)24(35)30(3)4;1-17(31)21-9-10-22-26(28(6)16-24(2,3)30(21)22)11-13-29(14-12-26)23(32)18-7-8-19(20(27)15-18)25(4,5)33;1-22(2,36)15-17-5-4-16(14-18(17)26)21(35)33-10-8-23(9-11-33)19-6-7-20(24(27,28)25(29,30)31)34(19)13-12-32(23)3;1-29-13-14-31-19(24(26,27)28)15-18(25)20(31)22(29)9-11-30(12-10-22)21(32)16-3-5-17(6-4-16)23(33)7-2-8-23;;/h6-9,16-17H,10-15H2,1-5H3;7-10,15,33H,11-14,16H2,1-6H3;4-7,14,36H,8-13,15H2,1-3H3;3-6,15,33H,2,7-14H2,1H3;2*1H
• InChIKey: NBEYFEPZXLNJEH-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 230.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1981.63
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen (CID 159730745) is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen is CC(=O)c1ccc2n1C(C)(C)CN(C)C21CCN(C(=O)c2ccc(C(C)(C)O)c(F)c2)CC1.CN1CCn2c(C(F)(F)F)cc(Cl)c2C12CCN(C(=O)c1ccc(C3(O)CCC3)cc1)CC2.CN1CCn2c(ccc2C(F)(F)C(F)(F)F)C12CCN(C(=O)c1ccc(CC(C)(C)O)c(F)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C(=O)N(C)C)ccc1OC(C)C.[H][H].[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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen?

The InChIKey is NBEYFEPZXLNJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O4.C26H34FN3O3.C25H29F6N3O2.C24H27ClF3N3O2.2H2/c1-17(2)37-19-7-6-18(16-20(19)36-5)23(34)31-12-10-25(11-13-31)21-8-9-22(26(27,28)29)32(21)14-15-33(25)24(35)30(3)4;1-17(31)21-9-10-22-26(28(6)16-24(2,3)30(21)22)11-13-29(14-12-26)23(32)18-7-8-19(20(27)15-18)25(4,5)33;1-22(2,36)15-17-5-4-16(14-18(17)26)21(35)33-10-8-23(9-11-33)19-6-7-20(24(27,28)25(29,30)31)34(19)13-12-32(23)3;1-29-13-14-31-19(24(26,27)28)15-18(25)20(31)22(29)9-11-30(12-10-22)21(32)16-3-5-17(6-4-16)23(33)7-2-8-23;;/h6-9,16-17H,10-15H2,1-5H3;7-10,15,33H,11-14,16H2,1-6H3;4-7,14,36H,8-13,15H2,1-3H3;3-6,15,33H,2,7-14H2,1H3;2*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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen?

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen has a molecular weight of 1981.63 g/mol, XLogP of 18.07, 13 rotatable bonds, 3 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]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[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'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159730745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).