N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C107H127F10N13O11S — CID 158023118

About N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158023118) has the molecular formula C107H127F10N13O11S and a molecular weight of 1993.32 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158023118
• Molecular Formula: C107H127F10N13O11S
• Molecular Weight: 1993.32 g/mol
• Exact Mass: 1991.93
• IUPAC Name: N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)c(F)c1.CCC(C)(C)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccccc1.[H][H]
• InChI: InChI=1S/C28H28F3N3O2.C27H34N4O4S.C26H31F4N3O3.C26H32F3N3O2.H2/c1-19-18-21(8-9-22(19)20-6-4-3-5-7-20)26(36)33-14-12-27(13-15-33)24-11-10-23(25(35)28(29,30)31)34(24)17-16-32(27)2;1-26(11-12-26)24(32)22-9-10-23-27(29(2)17-18-31(22)23)13-15-30(16-14-27)25(33)19-3-7-21(8-4-19)36(34,35)28-20-5-6-20;1-16(2)36-18-6-7-19(20(27)13-18)23(35)32-10-8-25(9-11-32)21-12-17(22(34)26(28,29)30)14-33(21)24(3,4)15-31(25)5;1-5-24(2,3)19-8-6-18(7-9-19)23(34)31-14-12-25(13-15-31)21-11-10-20(22(33)26(27,28)29)32(21)17-16-30(25)4;/h3-11,18H,12-17H2,1-2H3;3-4,7-10,20,28H,5-6,11-18H2,1-2H3;6-7,12-14,16H,8-11,15H2,1-5H3;6-11H,5,12-17H2,1-4H3;1H
• InChIKey: FGHDXOKGQVTSQY-UHFFFAOYSA-N
• XLogP: 18.49
• TPSA: 237.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.32
LogP ≤ 5	18.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158023118) is N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2cc(C(=O)C(F)(F)F)cn2C(C)(C)CN3C)c(F)c1.CCC(C)(C)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1ccccc1.[H][H].

What is the InChIKey of N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is FGHDXOKGQVTSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O2.C27H34N4O4S.C26H31F4N3O3.C26H32F3N3O2.H2/c1-19-18-21(8-9-22(19)20-6-4-3-5-7-20)26(36)33-14-12-27(13-15-33)24-11-10-23(25(35)28(29,30)31)34(24)17-16-32(27)2;1-26(11-12-26)24(32)22-9-10-23-27(29(2)17-18-31(22)23)13-15-30(16-14-27)25(33)19-3-7-21(8-4-19)36(34,35)28-20-5-6-20;1-16(2)36-18-6-7-19(20(27)13-18)23(35)32-10-8-25(9-11-32)21-12-17(22(34)26(28,29)30)14-33(21)24(3,4)15-31(25)5;1-5-24(2,3)19-8-6-18(7-9-19)23(34)31-14-12-25(13-15-31)21-11-10-20(22(33)26(27,28)29)32(21)17-16-30(25)4;/h3-11,18H,12-17H2,1-2H3;3-4,7-10,20,28H,5-6,11-18H2,1-2H3;6-7,12-14,16H,8-11,15H2,1-5H3;6-11H,5,12-17H2,1-4H3;1H.

What are the key properties of N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1993.32 g/mol, XLogP of 18.49, 17 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-[4-(2-methylbutan-2-yl)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158023118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).