[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C99H119ClF7N17O8 — CID 158182752

About [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158182752) has the molecular formula C99H119ClF7N17O8 and a molecular weight of 1843.59 g/mol. Its IUPAC name is [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158182752
• Molecular Formula: C99H119ClF7N17O8
• Molecular Weight: 1843.59 g/mol
• Exact Mass: 1841.90
• IUPAC Name: [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCC(c1ccc(F)cc1)n1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)nn1.CCCc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CC[C@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1OC.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccn(C)n1
• InChI: InChI=1S/C26H28F3N5O2.C25H28F4N6O.C24H32ClN3O3.C24H31N3O2/c1-17-16-18(4-5-19(17)20-8-11-32(3)30-20)24(36)33-12-9-25(10-13-33)22-7-6-21(23(35)26(27,28)29)34(22)15-14-31(25)2;1-3-20(17-4-6-18(26)7-5-17)35-16-19(30-31-35)23(36)33-12-10-24(11-13-33)21-8-9-22(25(27,28)29)34(21)15-14-32(24)2;1-5-17(2)31-19-7-6-18(16-20(19)30-4)23(29)27-12-10-24(11-13-27)21-8-9-22(25)28(21)15-14-26(24)3;1-4-5-19-6-8-20(9-7-19)23(29)26-14-12-24(13-15-26)22-11-10-21(18(2)28)27(22)17-16-25(24)3/h4-8,11,16H,9-10,12-15H2,1-3H3;4-9,16,20H,3,10-15H2,1-2H3;6-9,16-17H,5,10-15H2,1-4H3;6-11H,4-5,12-17H2,1-3H3/t;;17-;/m..0./s1
• InChIKey: FYUHLSINTZJBFE-CDWTUIBGSA-N
• XLogP: 16.46
• TPSA: 215.05 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.59
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158182752) is [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCC(c1ccc(F)cc1)n1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)nn1.CCCc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CC[C@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1OC.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccn(C)n1.

What is the InChIKey of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FYUHLSINTZJBFE-CDWTUIBGSA-N. The full InChI is InChI=1S/C26H28F3N5O2.C25H28F4N6O.C24H32ClN3O3.C24H31N3O2/c1-17-16-18(4-5-19(17)20-8-11-32(3)30-20)24(36)33-12-9-25(10-13-33)22-7-6-21(23(35)26(27,28)29)34(22)15-14-31(25)2;1-3-20(17-4-6-18(26)7-5-17)35-16-19(30-31-35)23(36)33-12-10-24(11-13-33)21-8-9-22(25(27,28)29)34(21)15-14-32(24)2;1-5-17(2)31-19-7-6-18(16-20(19)30-4)23(29)27-12-10-24(11-13-27)21-8-9-22(25)28(21)15-14-26(24)3;1-4-5-19-6-8-20(9-7-19)23(29)26-14-12-24(13-15-26)22-11-10-21(18(2)28)27(22)17-16-25(24)3/h4-8,11,16H,9-10,12-15H2,1-3H3;4-9,16,20H,3,10-15H2,1-2H3;6-9,16-17H,5,10-15H2,1-4H3;6-11H,4-5,12-17H2,1-3H3/t;;17-;/m..0./s1.

What are the key properties of [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1843.59 g/mol, XLogP of 16.46, 16 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2S)-butan-2-yl]oxy-3-methoxyphenyl]-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)methanone;[1-[1-(4-fluorophenyl)propyl]triazol-4-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(4-propylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(1-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158182752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).