(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C91H105Cl3F12N12O11 — CID 158241841

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 158241841) has the molecular formula C91H105Cl3F12N12O11 and a molecular weight of 1877.25 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 158241841
• Molecular Formula: C91H105Cl3F12N12O11
• Molecular Weight: 1877.25 g/mol
• Exact Mass: 1874.69
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCC(C)n2c(C(=O)C(F)(F)F)ccc23)cc1Cl.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1Cl.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC.[H][H]
• InChI: InChI=1S/C25H29ClF3N3O3.C24H27ClF3N3O3.C22H26F3N3O3.C20H21ClF3N3O2.H2/c1-15(2)35-20-7-5-17(13-18(20)26)23(34)31-11-9-24(10-12-31)21-8-6-19(22(33)25(27,28)29)32(21)16(3)14-30(24)4;1-14(2)34-19-6-4-16(12-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)15(3)13-29-23;1-26-12-13-28-18(6-7-19(28)22(23,24)25)21(26)8-10-27(11-9-21)20(29)15-4-5-16(30-2)17(14-15)31-3;1-25-12-13-27-16(6-7-17(27)21)19(25)8-10-26(11-9-19)18(28)14-2-4-15(5-3-14)29-20(22,23)24;/h5-8,13,15-16H,9-12,14H2,1-4H3;4-7,12,14-15,29H,8-11,13H2,1-3H3;4-7,14H,8-13H2,1-3H3;2-7H,8-13H2,1H3;1H
• InChIKey: GFQCRFFWVHEZFY-UHFFFAOYSA-N
• XLogP: 18.25
• TPSA: 203.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.25
LogP ≤ 5	18.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 158241841) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCC(C)n2c(C(=O)C(F)(F)F)ccc23)cc1Cl.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)cc1Cl.CN1CCn2c(Cl)ccc2C12CCN(C(=O)c1ccc(OC(F)(F)F)cc1)CC2.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1OC.[H][H].

What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is GFQCRFFWVHEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N3O3.C24H27ClF3N3O3.C22H26F3N3O3.C20H21ClF3N3O2.H2/c1-15(2)35-20-7-5-17(13-18(20)26)23(34)31-11-9-24(10-12-31)21-8-6-19(22(33)25(27,28)29)32(21)16(3)14-30(24)4;1-14(2)34-19-6-4-16(12-17(19)25)22(33)30-10-8-23(9-11-30)20-7-5-18(21(32)24(26,27)28)31(20)15(3)13-29-23;1-26-12-13-28-18(6-7-19(28)22(23,24)25)21(26)8-10-27(11-9-21)20(29)15-4-5-16(30-2)17(14-15)31-3;1-25-12-13-27-16(6-7-17(27)21)19(25)8-10-26(11-9-19)18(28)14-2-4-15(5-3-14)29-20(22,23)24;/h5-8,13,15-16H,9-12,14H2,1-4H3;4-7,12,14-15,29H,8-11,13H2,1-3H3;4-7,14H,8-13H2,1-3H3;2-7H,8-13H2,1H3;1H.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1877.25 g/mol, XLogP of 18.25, 13 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(trifluoromethoxy)phenyl]methanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-4-methylspiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;(3,4-dimethoxyphenyl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 158241841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).