1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone

C99H121F13N12O12S — CID 159575674

About 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone

1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone (PubChem CID 159575674) has the molecular formula C99H121F13N12O12S and a molecular weight of 1950.17 g/mol. Its IUPAC name is 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone.

Molecular Properties

• Compound Name: 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone
• PubChem CID: 159575674
• Molecular Formula: C99H121F13N12O12S
• Molecular Weight: 1950.17 g/mol
• Exact Mass: 1948.87
• IUPAC Name: 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1.COc1cc(C(=O)N2CCC3(C[C@H]2C)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.COc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)ccc1S(=O)(=O)C(C)C
• InChI: InChI=1S/C25H30F5N3O3S.C25H32F3N3O3.C25H30FN3O3.C24H29F4N3O3/c1-16(2)37(35,36)19-6-5-18(15-17(19)3)22(34)32-11-9-23(10-12-32)20-7-8-21(24(26,27)25(28,29)30)33(20)14-13-31(23)4;1-16(2)34-19-7-6-18(14-20(19)33-5)23(32)30-11-10-24(15-17(30)3)21-8-9-22(25(26,27)28)31(21)13-12-29(24)4;1-17(30)21-6-8-23-25(27(2)13-14-29(21)23)9-11-28(12-10-25)24(31)19-5-7-22(20(26)15-19)32-16-18-3-4-18;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/h5-8,15-16H,9-14H2,1-4H3;6-9,14,16-17H,10-13,15H2,1-5H3;5-8,15,18H,3-4,9-14,16H2,1-2H3;5-8,13,15,19H,9-12,14H2,1-4H3/t;17-,24?;;19-,23+/m.1.1/s1
• InChIKey: MIJIZSYPXCPDLP-XPMKYQIRSA-N
• XLogP: 17.50
• TPSA: 211.28 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.17
LogP ≤ 5	17.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone?

The IUPAC name of 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone (CID 159575674) is 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone.

What is the SMILES notation for 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone?

The canonical SMILES for 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OCC3CC3)c(F)c2)CC1.COc1cc(C(=O)N2CCC3(C[C@H]2C)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.COc1cc(C(=O)N2CC[C@@]3(c4ccc(C(F)(F)F)n4CCN3C)[C@H](F)C2)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)ccc1S(=O)(=O)C(C)C.

What is the InChIKey of 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone?

The InChIKey is MIJIZSYPXCPDLP-XPMKYQIRSA-N. The full InChI is InChI=1S/C25H30F5N3O3S.C25H32F3N3O3.C25H30FN3O3.C24H29F4N3O3/c1-16(2)37(35,36)19-6-5-18(15-17(19)3)22(34)32-11-9-23(10-12-32)20-7-8-21(24(26,27)25(28,29)30)33(20)14-13-31(23)4;1-16(2)34-19-7-6-18(14-20(19)33-5)23(32)30-11-10-24(15-17(30)3)21-8-9-22(25(26,27)28)31(21)13-12-29(24)4;1-17(30)21-6-8-23-25(27(2)13-14-29(21)23)9-11-28(12-10-25)24(31)19-5-7-22(20(26)15-19)32-16-18-3-4-18;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/h5-8,15-16H,9-14H2,1-4H3;6-9,14,16-17H,10-13,15H2,1-5H3;5-8,15,18H,3-4,9-14,16H2,1-2H3;5-8,13,15,19H,9-12,14H2,1-4H3/t;17-,24?;;19-,23+/m.1.1/s1.

What are the key properties of 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone?

1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone has a molecular weight of 1950.17 g/mol, XLogP of 17.50, 17 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[4-(cyclopropylmethoxy)-3-fluorobenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)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;[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone is sourced from PubChem (CID 159575674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).