[1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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

C100H121ClF10N12O12S — CID 157096007

About [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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 157096007) has the molecular formula C100H121ClF10N12O12S and a molecular weight of 1940.64 g/mol. Its IUPAC name is [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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: 157096007
• Molecular Formula: C100H121ClF10N12O12S
• Molecular Weight: 1940.64 g/mol
• Exact Mass: 1938.85
• IUPAC Name: [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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.COc1cc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)(C)C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1C1(O)CCCC1
• InChI: InChI=1S/C27H32F3N3O3.C25H31F4N3O3.C24H28ClN3O3.C24H30F3N3O3S/c1-18-17-19(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;1-23(2,3)35-18-7-6-16(14-19(18)34-5)22(33)31-10-8-24(9-11-31)21-17(26)15-20(25(27,28)29)32(21)13-12-30(24)4;1-26-13-14-28-19(22(29)16-3-4-16)6-8-21(28)24(26)9-11-27(12-10-24)23(30)17-5-7-20(31-2)18(25)15-17;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/h5-8,17,36H,3-4,9-16H2,1-2H3;6-7,14-15H,8-13H2,1-5H3;5-8,15-16H,3-4,9-14H2,1-2H3;4-9,17H,10-16H2,1-3H3
• InChIKey: AFFHCIJUGFQESB-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 230.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1940.64
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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 157096007) is [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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.COc1cc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)(C)C.COc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C4CC4)n2CCN3C)cc1Cl.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1C1(O)CCCC1.

What is the InChIKey of [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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 AFFHCIJUGFQESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F3N3O3.C25H31F4N3O3.C24H28ClN3O3.C24H30F3N3O3S/c1-18-17-19(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;1-23(2,3)35-18-7-6-16(14-19(18)34-5)22(33)31-10-8-24(9-11-31)21-17(26)15-20(25(27,28)29)32(21)13-12-30(24)4;1-26-13-14-28-19(22(29)16-3-4-16)6-8-21(28)24(26)9-11-27(12-10-24)23(30)17-5-7-20(31-2)18(25)15-17;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/h5-8,17,36H,3-4,9-16H2,1-2H3;6-7,14-15H,8-13H2,1-5H3;5-8,15-16H,3-4,9-14H2,1-2H3;4-9,17H,10-16H2,1-3H3.

What are the key properties of [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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 1940.64 g/mol, XLogP of 17.12, 14 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for [1'-(3-chloro-4-methoxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-cyclopropylmethanone;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanone;[4-(2-methylpropylsulfonyl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]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 157096007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).