(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen

C73H96Cl2F5N9O8 — CID 157371262

About (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen (PubChem CID 157371262) has the molecular formula C73H96Cl2F5N9O8 and a molecular weight of 1393.52 g/mol. Its IUPAC name is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen
• PubChem CID: 157371262
• Molecular Formula: C73H96Cl2F5N9O8
• Molecular Weight: 1393.52 g/mol
• Exact Mass: 1391.67
• IUPAC Name: (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen
• SMILES: CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OCCCO.[H][H].[H][H]
• InChI: InChI=1S/C27H36FN3O3.C24H29F4N3O3.C22H27Cl2N3O2.2H2/c1-25(2,3)23(32)21-9-10-22-27(29(6)15-16-31(21)22)11-13-30(14-12-27)24(33)18-7-8-19(20(28)17-18)26(4,5)34;1-16-14-17(4-5-19(16)34-13-3-12-32)22(33)30-8-6-23(7-9-30)21-18(25)15-20(24(26,27)28)31(21)11-10-29(23)2;1-15(2)29-18-5-4-16(14-17(18)23)21(28)26-10-8-22(9-11-26)19-6-7-20(24)27(19)13-12-25(22)3;;/h7-10,17,34H,11-16H2,1-6H3;4-5,14-15,32H,3,6-13H2,1-2H3;4-7,14-15H,8-13H2,1-3H3;2*1H
• InChIKey: BJUGONCRMGCJJK-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 161.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1393.52
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen?

The IUPAC name of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen (CID 157371262) is (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen.

What is the SMILES notation for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen?

The canonical SMILES for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen is CC(C)Oc1ccc(C(=O)N2CCC3(CC2)c2ccc(Cl)n2CCN3C)cc1Cl.CN1CCn2c(C(=O)C(C)(C)C)ccc2C12CCN(C(=O)c1ccc(C(C)(C)O)c(F)c1)CC2.Cc1cc(C(=O)N2CCC3(CC2)c2c(F)cc(C(F)(F)F)n2CCN3C)ccc1OCCCO.[H][H].[H][H].

What is the InChIKey of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen?

The InChIKey is BJUGONCRMGCJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36FN3O3.C24H29F4N3O3.C22H27Cl2N3O2.2H2/c1-25(2,3)23(32)21-9-10-22-27(29(6)15-16-31(21)22)11-13-30(14-12-27)24(33)18-7-8-19(20(28)17-18)26(4,5)34;1-16-14-17(4-5-19(16)34-13-3-12-32)22(33)30-8-6-23(7-9-30)21-18(25)15-20(24(26,27)28)31(21)11-10-29(23)2;1-15(2)29-18-5-4-16(14-17(18)23)21(28)26-10-8-22(9-11-26)19-6-7-20(24)27(19)13-12-25(22)3;;/h7-10,17,34H,11-16H2,1-6H3;4-5,14-15,32H,3,6-13H2,1-2H3;4-7,14-15H,8-13H2,1-3H3;2*1H.

What are the key properties of (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen?

(6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen has a molecular weight of 1393.52 g/mol, XLogP of 13.10, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (6-chloro-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl)-(3-chloro-4-propan-2-yloxyphenyl)methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(3-hydroxypropoxy)-3-methylphenyl]methanone;molecular hydrogen is sourced from PubChem (CID 157371262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).