[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

C99H115F9N14O8 — CID 162042915

About [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone

[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (PubChem CID 162042915) has the molecular formula C99H115F9N14O8 and a molecular weight of 1800.08 g/mol. Its IUPAC name is [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

Molecular Properties

• Compound Name: [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• PubChem CID: 162042915
• Molecular Formula: C99H115F9N14O8
• Molecular Weight: 1800.08 g/mol
• Exact Mass: 1798.89
• IUPAC Name: [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
• SMILES: CC(=O)c1cc2n(c1)CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1.CC(C)(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)cc1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)cn1)CC2.O=C(c1cccc2cccnc12)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H]
• InChI: InChI=1S/C26H25F3N4O2.C26H35N3O3.C25H30F3N3O2.C22H21F3N4O.2H2/c1-31-15-16-33-21(23(34)26(27,28)29)9-10-22(33)25(31)11-13-32(14-12-25)24(35)20-8-7-19(17-30-20)18-5-3-2-4-6-18;1-17(2)32-22-8-7-20(13-18(22)3)24(31)28-11-9-26(10-12-28)23-14-21(19(4)30)15-29(23)16-25(5,6)27-26;1-23(2,33)18-5-3-17(4-6-18)22(32)29-13-11-24(12-14-29)20-9-10-21(25(26,27)28)30(20)15-16-31(24)19-7-8-19;23-22(24,25)18-7-6-17-21(27-11-14-29(17)18)8-12-28(13-9-21)20(30)16-5-1-3-15-4-2-10-26-19(15)16;;/h2-10,17H,11-16H2,1H3;7-8,13-15,17,27H,9-12,16H2,1-6H3;3-6,9-10,19,33H,7-8,11-16H2,1-2H3;1-7,10,27H,8-9,11-14H2;2*1H
• InChIKey: YXNBHSQRSGMDJK-UHFFFAOYSA-N
• XLogP: 17.30
• TPSA: 220.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1800.08
LogP ≤ 5	17.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The IUPAC name of [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone (CID 162042915) is [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone.

What is the SMILES notation for [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The canonical SMILES for [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is CC(=O)c1cc2n(c1)CC(C)(C)NC21CCN(C(=O)c2ccc(OC(C)C)c(C)c2)CC1.CC(C)(O)c1ccc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)cc1.CN1CCn2c(C(=O)C(F)(F)F)ccc2C12CCN(C(=O)c1ccc(-c3ccccc3)cn1)CC2.O=C(c1cccc2cccnc12)N1CCC2(CC1)NCCn1c(C(F)(F)F)ccc12.[H][H].[H][H].

What is the InChIKey of [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

The InChIKey is YXNBHSQRSGMDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2.C26H35N3O3.C25H30F3N3O2.C22H21F3N4O.2H2/c1-31-15-16-33-21(23(34)26(27,28)29)9-10-22(33)25(31)11-13-32(14-12-25)24(35)20-8-7-19(17-30-20)18-5-3-2-4-6-18;1-17(2)32-22-8-7-20(13-18(22)3)24(31)28-11-9-26(10-12-28)23-14-21(19(4)30)15-29(23)16-25(5,6)27-26;1-23(2,33)18-5-3-17(4-6-18)22(32)29-13-11-24(12-14-29)20-9-10-21(25(26,27)28)30(20)15-16-31(24)19-7-8-19;23-22(24,25)18-7-6-17-21(27-11-14-29(17)18)8-12-28(13-9-21)20(30)16-5-1-3-15-4-2-10-26-19(15)16;;/h2-10,17H,11-16H2,1H3;7-8,13-15,17,27H,9-12,16H2,1-6H3;3-6,9-10,19,33H,7-8,11-16H2,1-2H3;1-7,10,27H,8-9,11-14H2;2*1H.

What are the key properties of [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone?

[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone has a molecular weight of 1800.08 g/mol, XLogP of 17.30, 11 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone;1-[3,3-dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;molecular hydrogen;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;2,2,2-trifluoro-1-[2-methyl-1'-(5-phenylpyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone is sourced from PubChem (CID 162042915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).