1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen

C98H115ClF12N14O10S — CID 159457538

About 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen

1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen (PubChem CID 159457538) has the molecular formula C98H115ClF12N14O10S and a molecular weight of 1944.58 g/mol. Its IUPAC name is 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen
• PubChem CID: 159457538
• Molecular Formula: C98H115ClF12N14O10S
• Molecular Weight: 1944.58 g/mol
• Exact Mass: 1942.81
• IUPAC Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)N1.CCn1cnc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)ccc1S(=O)(=O)C(C)C.[H][H]
• InChI: InChI=1S/C27H30F3N5O2.C26H32F3N3O3S.C23H28F3N3O2.C22H23ClF3N3O3.H2/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;1-17(2)36(34,35)21-7-4-19(16-18(21)3)24(33)30-12-10-25(11-13-30)22-8-9-23(26(27,28)29)31(22)14-15-32(25)20-5-6-20;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;1-20(2)12-29-15(18(31)22(24,25)26)4-6-17(29)21(27-20)7-9-28(10-8-21)19(32)13-3-5-16(30)14(23)11-13;/h5-8,15-17H,4,9-14H2,1-3H3;4,7-9,16-17,20H,5-6,10-15H2,1-3H3;4-9,16H,10-15H2,1-3H3;3-6,11,27,30H,7-10,12H2,1-2H3;1H
• InChIKey: LUEDMTLMRDCFGB-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 238.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1944.58
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen?

The IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen (CID 159457538) is 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen.

What is the SMILES notation for 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen?

The canonical SMILES for 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)cc1.CC1(C)Cn2c(C(=O)C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(O)c(Cl)c3)CC2)N1.CCn1cnc(-c2ccc(C(=O)N3CCC4(CC3)c3ccc(C(=O)C(F)(F)F)n3CCN4C)cc2C)c1.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)ccc1S(=O)(=O)C(C)C.[H][H].

What is the InChIKey of 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen?

The InChIKey is LUEDMTLMRDCFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N5O2.C26H32F3N3O3S.C23H28F3N3O2.C22H23ClF3N3O3.H2/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;1-17(2)36(34,35)21-7-4-19(16-18(21)3)24(33)30-12-10-25(11-13-30)22-8-9-23(26(27,28)29)31(22)14-15-32(25)20-5-6-20;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;1-20(2)12-29-15(18(31)22(24,25)26)4-6-17(29)21(27-20)7-9-28(10-8-21)19(32)13-3-5-16(30)14(23)11-13;/h5-8,15-17H,4,9-14H2,1-3H3;4,7-9,16-17,20H,5-6,10-15H2,1-3H3;4-9,16H,10-15H2,1-3H3;3-6,11,27,30H,7-10,12H2,1-2H3;1H.

What are the key properties of 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen?

1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen has a molecular weight of 1944.58 g/mol, XLogP of 17.83, 13 rotatable bonds, 2 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-chloro-4-hydroxybenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methyl-4-propan-2-ylsulfonylphenyl)methanone;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;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(4-propan-2-yloxyphenyl)methanone;molecular hydrogen is sourced from PubChem (CID 159457538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).