[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C102H129F9N12O9 — CID 157168296

About [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 157168296) has the molecular formula C102H129F9N12O9 and a molecular weight of 1838.21 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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• PubChem CID: 157168296
• Molecular Formula: C102H129F9N12O9
• Molecular Weight: 1838.21 g/mol
• Exact Mass: 1836.99
• IUPAC Name: [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
• SMILES: CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(-c3ccccc3)c(C)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)N[C@@H](C)Cn2c(C(F)(F)F)ccc23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)N[C@H](C)Cn2c(C(F)(F)F)ccc23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)ccc1C(C)(C)O.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C28H31N3O2.C26H32F3N3O2.C24H30F3N3O3.C24H30F3N3O2.3H2/c1-20-19-23(9-10-24(20)22-7-5-4-6-8-22)27(33)30-15-13-28(14-16-30)26-12-11-25(21(2)32)31(26)18-17-29(28)3;1-17-16-18(4-7-20(17)24(2,3)34)23(33)30-12-10-25(11-13-30)21-8-9-22(26(27,28)29)31(21)14-15-32(25)19-5-6-19;1-15(2)33-18-6-5-17(13-19(18)32-4)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-16(3)28-23;1-15(2)32-19-6-5-18(13-16(19)3)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-17(4)28-23;;;/h4-12,19H,13-18H2,1-3H3;4,7-9,16,19,34H,5-6,10-15H2,1-3H3;5-8,13,15-16,28H,9-12,14H2,1-4H3;5-8,13,15,17,28H,9-12,14H2,1-4H3;3*1H/t;;16-;17-;;;/m..01.../s1
• InChIKey: ANEBNMPENGMKGZ-RPPWNSBZSA-N
• XLogP: 19.28
• TPSA: 196.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1838.21
LogP ≤ 5	19.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 157168296) is [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-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 [2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(-c3ccccc3)c(C)c2)CC1.COc1cc(C(=O)N2CCC3(CC2)N[C@@H](C)Cn2c(C(F)(F)F)ccc23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)N[C@H](C)Cn2c(C(F)(F)F)ccc23)ccc1OC(C)C.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C2CC2)ccc1C(C)(C)O.[H][H].[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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

The InChIKey is ANEBNMPENGMKGZ-RPPWNSBZSA-N. The full InChI is InChI=1S/C28H31N3O2.C26H32F3N3O2.C24H30F3N3O3.C24H30F3N3O2.3H2/c1-20-19-23(9-10-24(20)22-7-5-4-6-8-22)27(33)30-15-13-28(14-16-30)26-12-11-25(21(2)32)31(26)18-17-29(28)3;1-17-16-18(4-7-20(17)24(2,3)34)23(33)30-12-10-25(11-13-30)21-8-9-22(26(27,28)29)31(21)14-15-32(25)19-5-6-19;1-15(2)33-18-6-5-17(13-19(18)32-4)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-16(3)28-23;1-15(2)32-19-6-5-18(13-16(19)3)22(31)29-11-9-23(10-12-29)20-7-8-21(24(25,26)27)30(20)14-17(4)28-23;;;/h4-12,19H,13-18H2,1-3H3;4,7-9,16,19,34H,5-6,10-15H2,1-3H3;5-8,13,15-16,28H,9-12,14H2,1-4H3;5-8,13,15,17,28H,9-12,14H2,1-4H3;3*1H/t;;16-;17-;;;/m..01.../s1.

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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?

[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxypropan-2-yl)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-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 1838.21 g/mol, XLogP of 19.28, 13 rotatable bonds, 3 hydrogen bond donors, and 17 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)-3-methylphenyl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(3-methyl-4-phenylbenzoyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;(3-methyl-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-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 157168296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).