4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C74H96ClF9N14O8S — CID 157354761

About 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 157354761) has the molecular formula C74H96ClF9N14O8S and a molecular weight of 1548.17 g/mol. Its IUPAC name is 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 157354761
• Molecular Formula: C74H96ClF9N14O8S
• Molecular Weight: 1548.17 g/mol
• Exact Mass: 1546.68
• IUPAC Name: 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CCNc1ccnc2c(C(=O)N3CCC4(CC3)c3ccc(C(F)(F)F)n3CCN4C)cnn12.COc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1COCCC(F)(F)F.[H][H].[H][H]
• InChI: InChI=1S/C27H31F6N3O4.C25H35ClN4O3S.C22H26F3N7O.2H2/c1-24(2)16-36-19(22(37)27(31,32)33)6-7-21(36)25(34-24)8-11-35(12-9-25)23(38)17-4-5-18(20(14-17)39-3)15-40-13-10-26(28,29)30;1-4-14-29(15-5-2)34(32,33)21-8-6-20(7-9-21)24(31)28-16-12-25(13-17-28)22-10-11-23(26)30(22)19-18-27(25)3;1-3-26-18-6-9-27-19-15(14-28-32(18)19)20(33)30-10-7-21(8-11-30)16-4-5-17(22(23,24)25)31(16)13-12-29(21)2;;/h4-7,14,34H,8-13,15-16H2,1-3H3;6-11H,4-5,12-19H2,1-3H3;4-6,9,14,26H,3,7-8,10-13H2,1-2H3;2*1H
• InChIKey: BHYJRJVOPSTILY-UHFFFAOYSA-N
• XLogP: 12.80
• TPSA: 209.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1548.17
LogP ≤ 5	12.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 157354761) is 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1.CCNc1ccnc2c(C(=O)N3CCC4(CC3)c3ccc(C(F)(F)F)n3CCN4C)cnn12.COc1cc(C(=O)N2CCC3(CC2)NC(C)(C)Cn2c(C(=O)C(F)(F)F)ccc23)ccc1COCCC(F)(F)F.[H][H].[H][H].

What is the InChIKey of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is BHYJRJVOPSTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F6N3O4.C25H35ClN4O3S.C22H26F3N7O.2H2/c1-24(2)16-36-19(22(37)27(31,32)33)6-7-21(36)25(34-24)8-11-35(12-9-25)23(38)17-4-5-18(20(14-17)39-3)15-40-13-10-26(28,29)30;1-4-14-29(15-5-2)34(32,33)21-8-6-20(7-9-21)24(31)28-16-12-25(13-17-28)22-10-11-23(26)30(22)19-18-27(25)3;1-3-26-18-6-9-27-19-15(14-28-32(18)19)20(33)30-10-7-21(8-11-30)16-4-5-17(22(23,24)25)31(16)13-12-29(21)2;;/h4-7,14,34H,8-13,15-16H2,1-3H3;6-11H,4-5,12-19H2,1-3H3;4-6,9,14,26H,3,7-8,10-13H2,1-2H3;2*1H.

What are the key properties of 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1548.17 g/mol, XLogP of 12.80, 17 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl)-N,N-dipropylbenzenesulfonamide;[7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-[3-methoxy-4-(3,3,3-trifluoropropoxymethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 157354761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).