N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

C73H91F9N10O11S2 — CID 158257745

About N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (PubChem CID 158257745) has the molecular formula C73H91F9N10O11S2 and a molecular weight of 1519.71 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• PubChem CID: 158257745
• Molecular Formula: C73H91F9N10O11S2
• Molecular Weight: 1519.71 g/mol
• Exact Mass: 1518.62
• IUPAC Name: N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(S(=O)(=O)C(C)C)c(C)c2)CC1.CN1CCn2c(C(F)(F)F)ccc2[C@]12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)C[C@H]2F.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)cc1OC.[H][H]
• InChI: InChI=1S/C25H30F5N3O4.C25H33N3O4S.C23H26F4N4O3S.H2/c1-31-12-13-33-20(6-7-21(33)24(26,27)25(28,29)30)23(31)8-10-32(11-9-23)22(34)17-4-5-18(19(16-17)36-3)37-15-14-35-2;1-17(2)33(31,32)22-8-6-20(16-18(22)3)24(30)27-12-10-25(11-13-27)23-9-7-21(19(4)29)28(23)15-14-26(25)5;1-29-12-13-31-19(8-9-20(31)23(25,26)27)22(29)10-11-30(14-18(22)24)21(32)15-2-6-17(7-3-15)35(33,34)28-16-4-5-16;/h4-7,16H,8-15H2,1-3H3;6-9,16-17H,10-15H2,1-5H3;2-3,6-9,16,18,28H,4-5,10-14H2,1H3;1H/t;;18-,22-;/m..1./s1
• InChIKey: GHMJRFIEMBICSP-QPVRZMIYSA-N
• XLogP: 10.73
• TPSA: 210.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 15
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1519.71
LogP ≤ 5	10.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The IUPAC name of N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (CID 158257745) is N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(S(=O)(=O)C(C)C)c(C)c2)CC1.CN1CCn2c(C(F)(F)F)ccc2[C@]12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)C[C@H]2F.COCCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)C(F)(F)F)n2CCN3C)cc1OC.[H][H].

What is the InChIKey of N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

The InChIKey is GHMJRFIEMBICSP-QPVRZMIYSA-N. The full InChI is InChI=1S/C25H30F5N3O4.C25H33N3O4S.C23H26F4N4O3S.H2/c1-31-12-13-33-20(6-7-21(33)24(26,27)25(28,29)30)23(31)8-10-32(11-9-23)22(34)17-4-5-18(19(16-17)36-3)37-15-14-35-2;1-17(2)33(31,32)22-8-6-20(16-18(22)3)24(30)27-12-10-25(11-13-27)23-9-7-21(19(4)29)28(23)15-14-26(25)5;1-29-12-13-31-19(8-9-20(31)23(25,26)27)22(29)10-11-30(14-18(22)24)21(32)15-2-6-17(7-3-15)35(33,34)28-16-4-5-16;/h4-7,16H,8-15H2,1-3H3;6-9,16-17H,10-15H2,1-5H3;2-3,6-9,16,18,28H,4-5,10-14H2,1H3;1H/t;;18-,22-;/m..1./s1.

What are the key properties of N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?

N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen has a molecular weight of 1519.71 g/mol, XLogP of 10.73, 15 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[(1S,3'R)-3'-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[3-methoxy-4-(2-methoxyethoxy)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-propan-2-ylsulfonylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 158257745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).