[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C103H127ClF7N13O10 — CID 157267177

About [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157267177) has the molecular formula C103H127ClF7N13O10 and a molecular weight of 1875.67 g/mol. Its IUPAC name is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157267177
• Molecular Formula: C103H127ClF7N13O10
• Molecular Weight: 1875.67 g/mol
• Exact Mass: 1873.94
• IUPAC Name: [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCC(CC)(CC)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1OC.CCc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1OC.COc1ncccc1-c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C
• InChI: InChI=1S/C28H29F3N4O3.C28H39N3O2.C25H31F4N3O3.C22H28ClN3O2/c1-18-17-19(6-7-20(18)21-5-4-12-32-25(21)38-3)26(37)34-13-10-27(11-14-34)23-9-8-22(24(36)28(29,30)31)35(23)16-15-33(27)2;1-6-27(7-2,8-3)23-11-9-22(10-12-23)26(33)30-17-15-28(16-18-30)25-14-13-24(21(4)32)31(25)20-19-29(28)5;1-5-16(2)35-19-7-6-17(14-20(19)34-4)23(33)31-10-8-24(9-11-31)22-18(26)15-21(25(27,28)29)32(22)13-12-30(24)3;1-4-16-5-6-17(15-18(16)28-3)21(27)25-11-9-22(10-12-25)19-7-8-20(23)26(19)14-13-24(22)2/h4-9,12,17H,10-11,13-16H2,1-3H3;9-14H,6-8,15-20H2,1-5H3;6-7,14-16H,5,8-13H2,1-4H3;5-8,15H,4,9-14H2,1-3H3/t;;16-;/m..1./s1
• InChIKey: AYCXLRLJEGMCOD-FJPCFGBSSA-N
• XLogP: 18.62
• TPSA: 197.87 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.67
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157267177) is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCC(CC)(CC)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(C)=O)n2CCN3C)cc1.CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)cc1OC.CCc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1OC.COc1ncccc1-c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1C.

What is the InChIKey of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is AYCXLRLJEGMCOD-FJPCFGBSSA-N. The full InChI is InChI=1S/C28H29F3N4O3.C28H39N3O2.C25H31F4N3O3.C22H28ClN3O2/c1-18-17-19(6-7-20(18)21-5-4-12-32-25(21)38-3)26(37)34-13-10-27(11-14-34)23-9-8-22(24(36)28(29,30)31)35(23)16-15-33(27)2;1-6-27(7-2,8-3)23-11-9-22(10-12-23)26(33)30-17-15-28(16-18-30)25-14-13-24(21(4)32)31(25)20-19-29(28)5;1-5-16(2)35-19-7-6-17(14-20(19)34-4)23(33)31-10-8-24(9-11-31)22-18(26)15-21(25(27,28)29)32(22)13-12-30(24)3;1-4-16-5-6-17(15-18(16)28-3)21(27)25-11-9-22(10-12-25)19-7-8-20(23)26(19)14-13-24(22)2/h4-9,12,17H,10-11,13-16H2,1-3H3;9-14H,6-8,15-20H2,1-5H3;6-7,14-16H,5,8-13H2,1-4H3;5-8,15H,4,9-14H2,1-3H3/t;;16-;/m..1./s1.

What are the key properties of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1875.67 g/mol, XLogP of 18.62, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(4-ethyl-3-methoxyphenyl)methanone;1-[1'-[4-(3-ethylpentan-3-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-methoxy-3-pyridinyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157267177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).