[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C99H112F17N13O11 — CID 159886554

About [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159886554) has the molecular formula C99H112F17N13O11 and a molecular weight of 1983.03 g/mol. Its IUPAC name is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[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]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159886554
• Molecular Formula: C99H112F17N13O11
• Molecular Weight: 1983.03 g/mol
• Exact Mass: 1981.83
• IUPAC Name: [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3F)cn1)CC2.COc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)cc1C(F)(F)F.[H][H]
• InChI: InChI=1S/C26H24F4N4O2.C25H32F3N3O3.C24H25F6N3O3.C24H29F4N3O3.H2/c1-32-14-15-34-21(23(35)26(28,29)30)8-9-22(34)25(32)10-12-33(13-11-25)24(36)20-7-6-17(16-31-20)18-4-2-3-5-19(18)27;1-5-17(2)34-19-7-6-18(16-20(19)33-4)23(32)30-12-10-24(11-13-30)21-8-9-22(25(26,27)28)31(21)15-14-29(24)3;1-14-13-33-17(20(34)24(28,29)30)5-7-19(33)22(31(14)2)8-10-32(11-9-22)21(35)15-4-6-18(36-3)16(12-15)23(25,26)27;1-15(2)34-17-6-5-16(13-18(17)33-4)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)3;/h2-9,16H,10-15H2,1H3;6-9,16-17H,5,10-15H2,1-4H3;4-7,12,14H,8-11,13H2,1-3H3;5-8,13,15,19H,9-12,14H2,1-4H3;1H/t;17-;14-;19-,23+;/m.101./s1
• InChIKey: NUFCGRZSKWPKGM-UBUVCOPISA-N
• XLogP: 18.58
• TPSA: 207.10 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1983.03
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[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]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159886554) is [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[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]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[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]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC[C@@H](C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3F)cn1)CC2.COc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C[C@H](C)N3C)cc1C(F)(F)F.[H][H].

What is the InChIKey of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is NUFCGRZSKWPKGM-UBUVCOPISA-N. The full InChI is InChI=1S/C26H24F4N4O2.C25H32F3N3O3.C24H25F6N3O3.C24H29F4N3O3.H2/c1-32-14-15-34-21(23(35)26(28,29)30)8-9-22(34)25(32)10-12-33(13-11-25)24(36)20-7-6-17(16-31-20)18-4-2-3-5-19(18)27;1-5-17(2)34-19-7-6-18(16-20(19)33-4)23(32)30-12-10-24(11-13-30)21-8-9-22(25(26,27)28)31(21)15-14-29(24)3;1-14-13-33-17(20(34)24(28,29)30)5-7-19(33)22(31(14)2)8-10-32(11-9-22)21(35)15-4-6-18(36-3)16(12-15)23(25,26)27;1-15(2)34-17-6-5-16(13-18(17)33-4)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)3;/h2-9,16H,10-15H2,1H3;6-9,16-17H,5,10-15H2,1-4H3;4-7,12,14H,8-11,13H2,1-3H3;5-8,13,15,19H,9-12,14H2,1-4H3;1H/t;17-;14-;19-,23+;/m.101./s1.

What are the key properties of [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1983.03 g/mol, XLogP of 18.58, 15 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2R)-butan-2-yl]oxy-3-methoxyphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[(1R,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[5-(2-fluorophenyl)pyridine-2-carbonyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[(3S)-1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159886554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).