N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C71H93F9N10O9S — CID 157483025

About N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 157483025) has the molecular formula C71H93F9N10O9S and a molecular weight of 1433.63 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 157483025
• Molecular Formula: C71H93F9N10O9S
• Molecular Weight: 1433.63 g/mol
• Exact Mass: 1432.67
• IUPAC Name: N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1CO.CCC1CN(C)C2(CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)c2ccc(C(F)(F)F)n21.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H34F3N3O3.C23H28F3N3O3.C22H25F3N4O3S.3H2/c1-6-19-16-30(4)25(22-9-10-23(32(19)22)26(27,28)29)11-13-31(14-12-25)24(33)18-7-8-20(35-17(2)3)21(15-18)34-5;1-15(2)32-18-4-3-16(13-17(18)14-30)21(31)28-10-7-22(8-11-28)19-5-6-20(23(24,25)26)29(19)12-9-27-22;23-22(24,25)19-8-7-18-21(26-11-14-29(18)19)9-12-28(13-10-21)20(30)15-1-5-17(6-2-15)33(31,32)27-16-3-4-16;;;/h7-10,15,17,19H,6,11-14,16H2,1-5H3;3-6,13,15,27,30H,7-12,14H2,1-2H3;1-2,5-8,16,26-27H,3-4,9-14H2;3*1H
• InChIKey: BWJNJWRLSHXTNO-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 197.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 13
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1433.63
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The IUPAC name of N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 157483025) is N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

What is the SMILES notation for N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The canonical SMILES for N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)NCCn2c(C(F)(F)F)ccc23)cc1CO.CCC1CN(C)C2(CCN(C(=O)c3ccc(OC(C)C)c(OC)c3)CC2)c2ccc(C(F)(F)F)n21.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H].[H][H].

What is the InChIKey of N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is BWJNJWRLSHXTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34F3N3O3.C23H28F3N3O3.C22H25F3N4O3S.3H2/c1-6-19-16-30(4)25(22-9-10-23(32(19)22)26(27,28)29)11-13-31(14-12-25)24(33)18-7-8-20(35-17(2)3)21(15-18)34-5;1-15(2)32-18-4-3-16(13-17(18)14-30)21(31)28-10-7-22(8-11-28)19-5-6-20(23(24,25)26)29(19)12-9-27-22;23-22(24,25)19-8-7-18-21(26-11-14-29(18)19)9-12-28(13-10-21)20(30)15-1-5-17(6-2-15)33(31,32)27-16-3-4-16;;;/h7-10,15,17,19H,6,11-14,16H2,1-5H3;3-6,13,15,27,30H,7-12,14H2,1-2H3;1-2,5-8,16,26-27H,3-4,9-14H2;3*1H.

What are the key properties of N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1433.63 g/mol, XLogP of 12.27, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]benzenesulfonamide;[4-ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[3-(hydroxymethyl)-4-propan-2-yloxyphenyl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 157483025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).