1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one

C78H95ClF4N12O8 — CID 161224585

About 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one

1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one (PubChem CID 161224585) has the molecular formula C78H95ClF4N12O8 and a molecular weight of 1440.14 g/mol. Its IUPAC name is 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

• Compound Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one
• PubChem CID: 161224585
• Molecular Formula: C78H95ClF4N12O8
• Molecular Weight: 1440.14 g/mol
• Exact Mass: 1438.70
• IUPAC Name: 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one
• SMILES: CC(C)C(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(O)c(Cl)c2)CC1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1cnc(N(C)C)nc1
• InChI: InChI=1S/C28H31F3N6O2.C27H36FN3O3.C23H28ClN3O3/c1-18-15-19(5-6-21(18)20-16-32-26(33-17-20)34(2)3)25(39)36-11-9-27(10-12-36)23-8-7-22(24(38)28(29,30)31)37(23)14-13-35(27)4;1-18(2)34-22-9-7-19(17-20(22)28)25(33)30-13-11-27(12-14-30)23-10-8-21(24(32)26(3,4)5)31(23)16-15-29(27)6;1-15(2)21(29)18-5-7-20-23(25(3)12-13-27(18)20)8-10-26(11-9-23)22(30)16-4-6-19(28)17(24)14-16/h5-8,15-17H,9-14H2,1-4H3;7-10,17-18H,11-16H2,1-6H3;4-7,14-15,28H,8-13H2,1-3H3
• InChIKey: UXYKMNNKAMUWJU-UHFFFAOYSA-N
• XLogP: 12.62
• TPSA: 195.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1440.14
LogP ≤ 5	12.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one?

The IUPAC name of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one (CID 161224585) is 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one.

What is the SMILES notation for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one?

The canonical SMILES for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one is CC(C)C(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(O)c(Cl)c2)CC1.CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(C)(C)C)n2CCN3C)cc1F.Cc1cc(C(=O)N2CCC3(CC2)c2ccc(C(=O)C(F)(F)F)n2CCN3C)ccc1-c1cnc(N(C)C)nc1.

What is the InChIKey of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one?

The InChIKey is UXYKMNNKAMUWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31F3N6O2.C27H36FN3O3.C23H28ClN3O3/c1-18-15-19(5-6-21(18)20-16-32-26(33-17-20)34(2)3)25(39)36-11-9-27(10-12-36)23-8-7-22(24(38)28(29,30)31)37(23)14-13-35(27)4;1-18(2)34-22-9-7-19(17-20(22)28)25(33)30-13-11-27(12-14-30)23-10-8-21(24(32)26(3,4)5)31(23)16-15-29(27)6;1-15(2)21(29)18-5-7-20-23(25(3)12-13-27(18)20)8-10-26(11-9-23)22(30)16-4-6-19(28)17(24)14-16/h5-8,15-17H,9-14H2,1-4H3;7-10,17-18H,11-16H2,1-6H3;4-7,14-15,28H,8-13H2,1-3H3.

What are the key properties of 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one?

1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one has a molecular weight of 1440.14 g/mol, XLogP of 12.62, 11 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1'-(3-chloro-4-hydroxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-methylpropan-1-one;1-[1'-[4-[2-(dimethylamino)pyrimidin-5-yl]-3-methylbenzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 161224585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).