(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C100H125ClF7N13O12S — CID 158055923

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158055923) has the molecular formula C100H125ClF7N13O12S and a molecular weight of 1901.68 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158055923
• Molecular Formula: C100H125ClF7N13O12S
• Molecular Weight: 1901.68 g/mol
• Exact Mass: 1899.89
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(C3(O)CCCC3)cc2)CC1.CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)c3ccc(Cl)n3CCN4C)cc2)CC1.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)c(F)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)ccc1C(C)(C)O.[H][H]
• InChI: InChI=1S/C26H32F3N3O3.C26H33N3O3.C25H33ClN4O3S.C23H25F4N3O3.H2/c1-16-14-18(6-7-19(16)24(3,4)35)23(34)31-12-10-25(11-13-31)21-9-8-20(22(33)26(27,28)29)32(21)17(2)15-30(25)5;1-19(30)22-9-10-23-25(27(2)17-18-29(22)23)13-15-28(16-14-25)24(31)20-5-7-21(8-6-20)26(32)11-3-4-12-26;1-19-9-13-29(14-10-19)34(32,33)21-5-3-20(4-6-21)24(31)28-15-11-25(12-16-28)22-7-8-23(26)30(22)18-17-27(25)2;1-21(2)13-30-17(19(31)23(25,26)27)6-7-18(30)22(28-21)8-10-29(11-9-22)20(32)15-5-4-14(33-3)12-16(15)24;/h6-9,14,17,35H,10-13,15H2,1-5H3;5-10,32H,3-4,11-18H2,1-2H3;3-8,19H,9-18H2,1-2H3;4-7,12,28H,8-11,13H2,1-3H3;1H
• InChIKey: FKAZAZHDFDDLOG-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 260.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1901.68
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

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-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158055923) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(C3(O)CCCC3)cc2)CC1.CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC4(CC3)c3ccc(Cl)n3CCN4C)cc2)CC1.COc1ccc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)c(F)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2C(C)CN3C)ccc1C(C)(C)O.[H][H].

What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FKAZAZHDFDDLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N3O3.C26H33N3O3.C25H33ClN4O3S.C23H25F4N3O3.H2/c1-16-14-18(6-7-19(16)24(3,4)35)23(34)31-12-10-25(11-13-31)21-9-8-20(22(33)26(27,28)29)32(21)17(2)15-30(25)5;1-19(30)22-9-10-23-25(27(2)17-18-29(22)23)13-15-28(16-14-25)24(31)20-5-7-21(8-6-20)26(32)11-3-4-12-26;1-19-9-13-29(14-10-19)34(32,33)21-5-3-20(4-6-21)24(31)28-15-11-25(12-16-28)22-7-8-23(26)30(22)18-17-27(25)2;1-21(2)13-30-17(19(31)23(25,26)27)6-7-18(30)22(28-21)8-10-29(11-9-22)20(32)15-5-4-14(33-3)12-16(15)24;/h6-9,14,17,35H,10-13,15H2,1-5H3;5-10,32H,3-4,11-18H2,1-2H3;3-8,19H,9-18H2,1-2H3;4-7,12,28H,8-11,13H2,1-3H3;1H.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1901.68 g/mol, XLogP of 15.72, 12 rotatable bonds, 3 hydrogen bond donors, and 20 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-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;1-[1'-[4-(1-hydroxycyclopentyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-(2-hydroxypropan-2-yl)-3-methylbenzoyl]-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158055923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).