1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C101H120F12N14O10S — CID 159119001

About 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 159119001) has the molecular formula C101H120F12N14O10S and a molecular weight of 1950.20 g/mol. Its IUPAC name is 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 159119001
• Molecular Formula: C101H120F12N14O10S
• Molecular Weight: 1950.20 g/mol
• Exact Mass: 1948.88
• IUPAC Name: 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CCn1cnc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1C1(O)CCCC1
• InChI: InChI=1S/C27H30F3N5O2.C27H32F3N3O3.C24H30F3N3O3S.C23H28F3N3O2/c1-4-33-16-21(31-17-33)20-6-5-19(15-18(20)2)25(37)34-11-9-26(10-12-34)23-8-7-22(24(36)27(28,29)30)35(23)14-13-32(26)3;1-18-17-19(5-6-20(18)26(36)9-3-4-10-26)24(35)32-13-11-25(12-14-32)22-8-7-21(23(34)27(28,29)30)33(22)16-15-31(25)2;1-17(2)16-34(32,33)19-6-4-18(5-7-19)22(31)29-12-10-23(11-13-29)20-8-9-21(24(25,26)27)30(20)15-14-28(23)3;1-16(2)31-18-6-4-17(5-7-18)21(30)28-12-10-22(11-13-28)19-8-9-20(23(24,25)26)29(19)15-14-27(22)3/h5-8,15-17H,4,9-14H2,1-3H3;5-8,17,36H,3-4,9-16H2,1-2H3;4-9,17H,10-16H2,1-3H3;4-9,16H,10-15H2,1-3H3
• InChIKey: KFLHMIPPTUWDPN-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 229.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1950.20
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 159119001) is 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CCn1cnc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1C1(O)CCCC1.

What is the InChIKey of 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is KFLHMIPPTUWDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O2.C27H32F3N3O3.C24H30F3N3O3S.C23H28F3N3O2/c1-4-33-16-21(31-17-33)20-6-5-19(15-18(20)2)25(37)34-11-9-26(10-12-34)23-8-7-22(24(36)27(28,29)30)35(23)14-13-32(26)3;1-18-17-19(5-6-20(18)26(36)9-3-4-10-26)24(35)32-13-11-25(12-14-32)22-8-7-21(23(34)27(28,29)30)33(22)16-15-31(25)2;1-17(2)16-34(32,33)19-6-4-18(5-7-19)22(31)29-12-10-23(11-13-29)20-8-9-21(24(25,26)27)30(20)15-14-28(23)3;1-16(2)31-18-6-4-17(5-7-18)21(30)28-12-10-22(11-13-28)19-8-9-20(23(24,25)26)29(19)15-14-27(22)3/h5-8,15-17H,4,9-14H2,1-3H3;5-8,17,36H,3-4,9-16H2,1-2H3;4-9,17H,10-16H2,1-3H3;4-9,16H,10-15H2,1-3H3.

What are the key properties of 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1950.20 g/mol, XLogP of 17.27, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-[4-(1-ethylimidazol-4-yl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;2,2,2-trifluoro-1-[1'-[4-(1-hydroxycyclopentyl)-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 159119001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).