cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C96H115F11N14O9 — CID 159684510

IUPACcyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccnn1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)ccc1O.Cc1cc(C(=O)N2CC[C@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.[H][H].[H][H]
InChIInChI=1S/C26H28F3N5O2.C24H29F4N3O2.C24H29N3O3.C22H25F4N3O2.2H2/c1-17-16-18(4-5-19(17)20-8-11-30-32(20)3)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;1-15(2)33-18-6-5-17(13-16(18)3)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)4;1-16-15-18(5-7-20(16)28)23(30)26-11-9-24(10-12-26)21-8-6-19(22(29)17-3-4-17)27(21)14-13-25(24)2;1-14(2)31-17-4-3-15(13-16(17)23)20(30)28-10-7-21(8-11-28)18-5-6-19(22(24,25)26)29(18)12-9-27-21;;/h4-8,11,16H,9-10,12-15H2,1-3H3;5-8,13,15,19H,9-12,14H2,1-4H3;5-8,15,17,28H,3-4,9-14H2,1-2H3;3-6,13-14,27H,7-12H2,1-2H3;2*1H/t;19-,23-;;;;/m.1..../s1
InChIKeyMVPRQHMOWHFSSW-IEBGGUMVSA-N
MW1818.04 g/mol
LogP16.48
Rot. Bonds12

About cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159684510) has the molecular formula C96H115F11N14O9 and a molecular weight of 1818.04 g/mol. Its IUPAC name is cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

Compound Namecyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
PubChem CID159684510
Molecular FormulaC96H115F11N14O9
Molecular Weight1818.04 g/mol
Exact Mass1816.88
IUPAC Namecyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
SMILESCC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccnn1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)ccc1O.Cc1cc(C(=O)N2CC[C@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.[H][H].[H][H]
InChIInChI=1S/C26H28F3N5O2.C24H29F4N3O2.C24H29N3O3.C22H25F4N3O2.2H2/c1-17-16-18(4-5-19(17)20-8-11-30-32(20)3)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;1-15(2)33-18-6-5-17(13-16(18)3)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)4;1-16-15-18(5-7-20(16)28)23(30)26-11-9-24(10-12-26)21-8-6-19(22(29)17-3-4-17)27(21)14-13-25(24)2;1-14(2)31-17-4-3-15(13-16(17)23)20(30)28-10-7-21(8-11-28)18-5-6-19(22(24,25)26)29(18)12-9-27-21;;/h4-8,11,16H,9-10,12-15H2,1-3H3;5-8,13,15,19H,9-12,14H2,1-4H3;5-8,15,17,28H,3-4,9-14H2,1-2H3;3-6,13-14,27H,7-12H2,1-2H3;2*1H/t;19-,23-;;;;/m.1..../s1
InChIKeyMVPRQHMOWHFSSW-IEBGGUMVSA-N
XLogP16.48
TPSA213.36 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001818.04
LogP ≤ 516.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The IUPAC name of cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159684510) is cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.
What is the SMILES notation for cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The canonical SMILES for cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccnn1C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)ccc1O.Cc1cc(C(=O)N2CC[C@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.[H][H].[H][H].
What is the InChIKey of cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
The InChIKey is MVPRQHMOWHFSSW-IEBGGUMVSA-N. The full InChI is InChI=1S/C26H28F3N5O2.C24H29F4N3O2.C24H29N3O3.C22H25F4N3O2.2H2/c1-17-16-18(4-5-19(17)20-8-11-30-32(20)3)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;1-15(2)33-18-6-5-17(13-16(18)3)22(32)30-10-9-23(19(25)14-30)20-7-8-21(24(26,27)28)31(20)12-11-29(23)4;1-16-15-18(5-7-20(16)28)23(30)26-11-9-24(10-12-26)21-8-6-19(22(29)17-3-4-17)27(21)14-13-25(24)2;1-14(2)31-17-4-3-15(13-16(17)23)20(30)28-10-7-21(8-11-28)18-5-6-19(22(24,25)26)29(18)12-9-27-21;;/h4-8,11,16H,9-10,12-15H2,1-3H3;5-8,13,15,19H,9-12,14H2,1-4H3;5-8,15,17,28H,3-4,9-14H2,1-2H3;3-6,13-14,27H,7-12H2,1-2H3;2*1H/t;19-,23-;;;;/m.1..../s1.
What are the key properties of cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?
cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1818.04 g/mol, XLogP of 16.48, 12 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1'-(4-hydroxy-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]methanone;[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-yloxyphenyl)methanone;(3-fluoro-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[3-methyl-4-(2-methylpyrazol-3-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159684510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).