N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen

C75H93F9N10O9S — CID 157108095

About N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen

N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen (PubChem CID 157108095) has the molecular formula C75H93F9N10O9S and a molecular weight of 1481.68 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen
• PubChem CID: 157108095
• Molecular Formula: C75H93F9N10O9S
• Molecular Weight: 1481.68 g/mol
• Exact Mass: 1480.67
• IUPAC Name: N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen
• SMILES: CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(COCCC(F)(F)F)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCCO.[H][H]
• InChI: InChI=1S/C28H34F3N3O3.C24H30F3N3O3.C23H27F3N4O3S.H2/c1-26(9-10-26)24(35)22-7-8-23-27(32(2)16-17-34(22)23)11-14-33(15-12-27)25(36)21-5-3-20(4-6-21)19-37-18-13-28(29,30)31;1-17-16-18(4-5-19(17)33-15-3-14-31)22(32)29-10-8-23(9-11-29)20-6-7-21(24(25,26)27)30(20)13-12-28(23)2;1-28-14-15-30-19(8-9-20(30)23(24,25)26)22(28)10-12-29(13-11-22)21(31)16-2-6-18(7-3-16)34(32,33)27-17-4-5-17;/h3-8H,9-19H2,1-2H3;4-7,16,31H,3,8-15H2,1-2H3;2-3,6-9,17,27H,4-5,10-15H2,1H3;1H
• InChIKey: AGNNGLJVIKSDAB-UHFFFAOYSA-N
• XLogP: 11.94
• TPSA: 187.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1481.68
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen?

The IUPAC name of N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen (CID 157108095) is N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen is CN1CCn2c(C(=O)C3(C)CC3)ccc2C12CCN(C(=O)c1ccc(COCCC(F)(F)F)cc1)CC2.CN1CCn2c(C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OCCCO.[H][H].

What is the InChIKey of N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen?

The InChIKey is AGNNGLJVIKSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34F3N3O3.C24H30F3N3O3.C23H27F3N4O3S.H2/c1-26(9-10-26)24(35)22-7-8-23-27(32(2)16-17-34(22)23)11-14-33(15-12-27)25(36)21-5-3-20(4-6-21)19-37-18-13-28(29,30)31;1-17-16-18(4-5-19(17)33-15-3-14-31)22(32)29-10-8-23(9-11-29)20-6-7-21(24(25,26)27)30(20)13-12-28(23)2;1-28-14-15-30-19(8-9-20(30)23(24,25)26)22(28)10-12-29(13-11-22)21(31)16-2-6-18(7-3-16)34(32,33)27-17-4-5-17;/h3-8H,9-19H2,1-2H3;4-7,16,31H,3,8-15H2,1-2H3;2-3,6-9,17,27H,4-5,10-15H2,1H3;1H.

What are the key properties of N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen?

N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen has a molecular weight of 1481.68 g/mol, XLogP of 11.94, 16 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-(3-hydroxypropoxy)-3-methylphenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[2-methyl-6-(1-methylcyclopropanecarbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3,3,3-trifluoropropoxymethyl)phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 157108095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).