1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen

C96H120Cl4F6N12O11 — CID 159002807

About 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen

1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen (PubChem CID 159002807) has the molecular formula C96H120Cl4F6N12O11 and a molecular weight of 1873.89 g/mol. Its IUPAC name is 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen
• PubChem CID: 159002807
• Molecular Formula: C96H120Cl4F6N12O11
• Molecular Weight: 1873.89 g/mol
• Exact Mass: 1870.79
• IUPAC Name: 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen
• SMILES: CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1Cl.COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1OCC(C)(C)O.[H][H]
• InChI: InChI=1S/2C24H27ClF3N3O3.C24H32ClN3O3.C24H32ClN3O2.H2/c1-22(2)14-29(3)23(19-12-16(13-31(19)22)20(32)24(26,27)28)7-9-30(10-8-23)21(33)15-5-6-18(34-4)17(25)11-15;1-15(2)34-19-6-4-16(14-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)13-12-29(23)3;1-17-15-18(5-6-19(17)31-16-23(2,3)30)22(29)27-11-9-24(10-12-27)20-7-8-21(25)28(20)14-13-26(24)4;1-18(2)10-17-30-20-6-4-19(5-7-20)23(29)27-13-11-24(12-14-27)21-8-9-22(25)28(21)16-15-26(24)3;/h5-6,11-13H,7-10,14H2,1-4H3;4-7,14-15H,8-13H2,1-3H3;5-8,15,30H,9-14,16H2,1-4H3;4-9,18H,10-17H2,1-3H3;1H
• InChIKey: JRNXGFQTGCCWRS-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 205.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1873.89
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen?

The IUPAC name of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen (CID 159002807) is 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen.

What is the SMILES notation for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen?

The canonical SMILES for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen is CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1Cl.COc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)ccc1OCC(C)(C)O.[H][H].

What is the InChIKey of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen?

The InChIKey is JRNXGFQTGCCWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H27ClF3N3O3.C24H32ClN3O3.C24H32ClN3O2.H2/c1-22(2)14-29(3)23(19-12-16(13-31(19)22)20(32)24(26,27)28)7-9-30(10-8-23)21(33)15-5-6-18(34-4)17(25)11-15;1-15(2)34-19-6-4-16(14-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)13-12-29(23)3;1-17-15-18(5-6-19(17)31-16-23(2,3)30)22(29)27-11-9-24(10-12-27)20-7-8-21(25)28(20)14-13-26(24)4;1-18(2)10-17-30-20-6-4-19(5-7-20)23(29)27-13-11-24(12-14-27)21-8-9-22(25)28(21)16-15-26(24)3;/h5-6,11-13H,7-10,14H2,1-4H3;4-7,14-15H,8-13H2,1-3H3;5-8,15,30H,9-14,16H2,1-4H3;4-9,18H,10-17H2,1-3H3;1H.

What are the key properties of 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen?

1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen has a molecular weight of 1873.89 g/mol, XLogP of 18.02, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-chloro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]-2,2,2-trifluoroethanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(3-methylbutoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;molecular hydrogen is sourced from PubChem (CID 159002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).