4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C79H102F6N10O10S — CID 158212263

About 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 158212263) has the molecular formula C79H102F6N10O10S and a molecular weight of 1497.80 g/mol. Its IUPAC name is 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 158212263
• Molecular Formula: C79H102F6N10O10S
• Molecular Weight: 1497.80 g/mol
• Exact Mass: 1496.74
• IUPAC Name: 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)C)n2CCN3C)ccc1OC(C)C.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)c1ccc(C(F)(F)F)n1CCN2C1CCC1.[H][H]
• InChI: InChI=1S/C27H37N3O4.C26H31F3N4O3S.C26H32F3N3O3.H2/c1-18(2)25(31)21-8-10-24-27(28(5)15-16-30(21)24)11-13-29(14-12-27)26(32)20-7-9-22(34-19(3)4)23(17-20)33-6;27-26(28,29)23-11-10-22-25(33(17-16-32(22)23)20-2-1-3-20)12-14-31(15-13-25)24(34)18-4-8-21(9-5-18)37(35,36)30-19-6-7-19;1-18(2)10-17-35-20-6-4-19(5-7-20)24(34)31-13-11-25(12-14-31)22-9-8-21(23(33)26(27,28)29)32(22)16-15-30(25)3;/h7-10,17-19H,11-16H2,1-6H3;4-5,8-11,19-20,30H,1-3,6-7,12-17H2;4-9,18H,10-17H2,1-3H3;1H
• InChIKey: GCFJYPJAHDAWJG-UHFFFAOYSA-N
• XLogP: 13.13
• TPSA: 193.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1497.80
LogP ≤ 5	13.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 158212263) is 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(C)CCOc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)cc1.COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)C)n2CCN3C)ccc1OC(C)C.O=C(c1ccc(S(=O)(=O)NC2CC2)cc1)N1CCC2(CC1)c1ccc(C(F)(F)F)n1CCN2C1CCC1.[H][H].

What is the InChIKey of 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is GCFJYPJAHDAWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O4.C26H31F3N4O3S.C26H32F3N3O3.H2/c1-18(2)25(31)21-8-10-24-27(28(5)15-16-30(21)24)11-13-29(14-12-27)26(32)20-7-9-22(34-19(3)4)23(17-20)33-6;27-26(28,29)23-11-10-22-25(33(17-16-32(22)23)20-2-1-3-20)12-14-31(15-13-25)24(34)18-4-8-21(9-5-18)37(35,36)30-19-6-7-19;1-18(2)10-17-35-20-6-4-19(5-7-20)24(34)31-13-11-25(12-14-31)22-9-8-21(23(33)26(27,28)29)32(22)16-15-30(25)3;/h7-10,17-19H,11-16H2,1-6H3;4-5,8-11,19-20,30H,1-3,6-7,12-17H2;4-9,18H,10-17H2,1-3H3;1H.

What are the key properties of 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1497.80 g/mol, XLogP of 13.13, 17 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclobutyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-carbonyl]-N-cyclopropylbenzenesulfonamide;1-[1'-(3-methoxy-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[2-methyl-1'-[4-(3-methylbutoxy)benzoyl]spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 158212263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).