4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C92H112ClF10N13O10S — CID 157460720

About 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157460720) has the molecular formula C92H112ClF10N13O10S and a molecular weight of 1817.49 g/mol. Its IUPAC name is 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157460720
• Molecular Formula: C92H112ClF10N13O10S
• Molecular Weight: 1817.49 g/mol
• Exact Mass: 1815.79
• IUPAC Name: 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.C[C@H]1Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(C(C)(C)O)cc3)CC2)N1C.Cc1cc(C(=O)N2CC[C@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1C(C)(C)O.[H][H]
• InChI: InChI=1S/C25H30F3N3O3.C24H29F4N3O2.C22H27ClN4O3S.C21H24F3N3O2.H2/c1-16-15-31-19(21(32)25(26,27)28)9-10-20(31)24(29(16)4)11-13-30(14-12-24)22(33)17-5-7-18(8-6-17)23(2,3)34;1-15-13-16(5-6-17(15)22(2,3)33)21(32)30-10-9-23(18(25)14-30)19-7-8-20(24(26,27)28)31(19)12-11-29(23)4;1-25-14-15-27-19(8-9-20(27)23)22(25)10-12-26(13-11-22)21(28)16-2-6-18(7-3-16)31(29,30)24-17-4-5-17;1-25-13-14-27-17(7-8-18(27)21(22,23)24)20(25)9-11-26(12-10-20)19(28)15-3-5-16(29-2)6-4-15;/h5-10,16,34H,11-15H2,1-4H3;5-8,13,18,33H,9-12,14H2,1-4H3;2-3,6-9,17,24H,4-5,10-15H2,1H3;3-8H,9-14H2,1-2H3;1H/t16-;18-,23-;;;/m01.../s1
• InChIKey: BTWUAPSCOWHRCJ-KRHNXBDYSA-N
• XLogP: 14.49
• TPSA: 226.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1817.49
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157460720) is 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.C[C@H]1Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(C(C)(C)O)cc3)CC2)N1C.Cc1cc(C(=O)N2CC[C@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1C(C)(C)O.[H][H].

What is the InChIKey of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is BTWUAPSCOWHRCJ-KRHNXBDYSA-N. The full InChI is InChI=1S/C25H30F3N3O3.C24H29F4N3O2.C22H27ClN4O3S.C21H24F3N3O2.H2/c1-16-15-31-19(21(32)25(26,27)28)9-10-20(31)24(29(16)4)11-13-30(14-12-24)22(33)17-5-7-18(8-6-17)23(2,3)34;1-15-13-16(5-6-17(15)22(2,3)33)21(32)30-10-9-23(18(25)14-30)19-7-8-20(24(26,27)28)31(19)12-11-29(23)4;1-25-14-15-27-19(8-9-20(27)23)22(25)10-12-26(13-11-22)21(28)16-2-6-18(7-3-16)31(29,30)24-17-4-5-17;1-25-13-14-27-17(7-8-18(27)21(22,23)24)20(25)9-11-26(12-10-20)19(28)15-3-5-16(29-2)6-4-15;/h5-10,16,34H,11-15H2,1-4H3;5-8,13,18,33H,9-12,14H2,1-4H3;2-3,6-9,17,24H,4-5,10-15H2,1H3;3-8H,9-14H2,1-2H3;1H/t16-;18-,23-;;;/m01.../s1.

What are the key properties of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1817.49 g/mol, XLogP of 14.49, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N-cyclopropylbenzenesulfonamide;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(4-methoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[(3S)-1'-[4-(2-hydroxypropan-2-yl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157460720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).