[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen

C97H119ClF12N12O13S — CID 158135377

About [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen (PubChem CID 158135377) has the molecular formula C97H119ClF12N12O13S and a molecular weight of 1956.59 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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen
• PubChem CID: 158135377
• Molecular Formula: C97H119ClF12N12O13S
• Molecular Weight: 1956.59 g/mol
• Exact Mass: 1954.82
• IUPAC Name: [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen
• SMILES: CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)C3CC3)cc1)CC2.COC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC(C)C)c(OC)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)ccc1OCC(C)(C)F.Cc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2cc(F)c(F)c23)ccc1OC(C)C.[H][H]
• InChI: InChI=1S/C25H30ClF4N3O3.C25H30F3N3O5.C24H31F2N3O2.C23H26F3N3O3S.H2/c1-23(2,27)15-36-18-6-5-16(13-19(18)35-4)22(34)32-9-7-24(8-10-32)21-17(26)14-20(25(28,29)30)33(21)12-11-31(24)3;1-16(2)36-18-6-5-17(15-19(18)34-3)22(32)29-11-9-24(10-12-29)20-7-8-21(25(26,27)28)30(20)13-14-31(24)23(33)35-4;1-15(2)31-19-7-6-17(12-16(19)3)22(30)28-10-8-24(9-11-28)21-20(26)18(25)13-29(21)14-23(4,5)27-24;1-27-14-15-29-19(8-9-20(29)23(24,25)26)22(27)10-12-28(13-11-22)21(30)16-2-4-17(5-3-16)33(31,32)18-6-7-18;/h5-6,13-14H,7-12,15H2,1-4H3;5-8,15-16H,9-14H2,1-4H3;6-7,12-13,15,27H,8-11,14H2,1-5H3;2-5,8-9,18H,6-7,10-15H2,1H3;1H
• InChIKey: FTGYUJCJBUUITB-UHFFFAOYSA-N
• XLogP: 18.03
• TPSA: 229.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1956.59
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen (CID 158135377) is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen is CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)C3CC3)cc1)CC2.COC(=O)N1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(OC(C)C)c(OC)c1)CC2.COc1cc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)ccc1OCC(C)(C)F.Cc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2cc(F)c(F)c23)ccc1OC(C)C.[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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

The InChIKey is FTGYUJCJBUUITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClF4N3O3.C25H30F3N3O5.C24H31F2N3O2.C23H26F3N3O3S.H2/c1-23(2,27)15-36-18-6-5-16(13-19(18)35-4)22(34)32-9-7-24(8-10-32)21-17(26)14-20(25(28,29)30)33(21)12-11-31(24)3;1-16(2)36-18-6-5-17(15-19(18)34-3)22(32)29-11-9-24(10-12-29)20-7-8-21(25(26,27)28)30(20)13-14-31(24)23(33)35-4;1-15(2)31-19-7-6-17(12-16(19)3)22(30)28-10-8-24(9-11-28)21-20(26)18(25)13-29(21)14-23(4,5)27-24;1-27-14-15-29-19(8-9-20(29)23(24,25)26)22(27)10-12-28(13-11-22)21(30)16-2-4-17(5-3-16)33(31,32)18-6-7-18;/h5-6,13-14H,7-12,15H2,1-4H3;5-8,15-16H,9-14H2,1-4H3;6-7,12-13,15,27H,8-11,14H2,1-5H3;2-5,8-9,18H,6-7,10-15H2,1H3;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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen?

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen has a molecular weight of 1956.59 g/mol, XLogP of 18.03, 15 rotatable bonds, 1 hydrogen bond donors, and 20 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-(2-fluoro-2-methylpropoxy)-3-methoxyphenyl]methanone;(4-cyclopropylsulfonylphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(7,8-difluoro-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-methyl-4-propan-2-yloxyphenyl)methanone;methyl 1'-(3-methoxy-4-propan-2-yloxybenzoyl)-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxylate;molecular hydrogen is sourced from PubChem (CID 158135377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).