benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C100H103Br2Cl5N26O14 — CID 161034636

About benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 161034636) has the molecular formula C100H103Br2Cl5N26O14 and a molecular weight of 2230.16 g/mol. Its IUPAC name is benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
• PubChem CID: 161034636
• Molecular Formula: C100H103Br2Cl5N26O14
• Molecular Weight: 2230.16 g/mol
• Exact Mass: 2224.50
• IUPAC Name: benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
• SMILES: CN1CCN(C)C1=O.N#Cc1nccnc1Cl.NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(Br)c2c(Cl)nccn12.O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc2c(Cl)nccn12
• InChI: InChI=1S/C18H16BrClN4O2.C18H18BrN5O2.C18H19ClN4O3.C18H17ClN4O2.C13H15NO4.C5H6ClN3.C5H2ClN3.C5H10N2O/c2*19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12;19-16-14(20-8-9-21-16)11-22-17(24)15-7-4-10-23(15)18(25)26-12-13-5-2-1-3-6-13;19-16-15-11-21-17(22(15)10-8-20-16)14-7-4-9-23(14)18(24)25-12-13-5-2-1-3-6-13;15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;2*6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8/h1-3,5-6,8,10,13H,4,7,9,11H2;1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21);1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24);1-3,5-6,8,10-11,14H,4,7,9,12H2;1-3,5-6,11H,4,7-9H2,(H,15,16);1-2H,3,7H2;1-2H;3-4H2,1-2H3/t2*13-;15-;14-;11-;;;/m00000.../s1
• InChIKey: UABZCCBVNKYEDF-RXYZPKGRSA-N
• XLogP: 18.02
• TPSA: 481.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 18
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2230.16
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?

The IUPAC name of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 161034636) is benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

What is the SMILES notation for benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?

The canonical SMILES for benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is CN1CCN(C)C1=O.N#Cc1nccnc1Cl.NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(O)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1nc(Br)c2c(Cl)nccn12.O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc2c(Cl)nccn12.

What is the InChIKey of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?

The InChIKey is UABZCCBVNKYEDF-RXYZPKGRSA-N. The full InChI is InChI=1S/C18H16BrClN4O2.C18H18BrN5O2.C18H19ClN4O3.C18H17ClN4O2.C13H15NO4.C5H6ClN3.C5H2ClN3.C5H10N2O/c2*19-15-14-16(20)21-8-10-24(14)17(22-15)13-7-4-9-23(13)18(25)26-11-12-5-2-1-3-6-12;19-16-14(20-8-9-21-16)11-22-17(24)15-7-4-10-23(15)18(25)26-12-13-5-2-1-3-6-13;19-16-15-11-21-17(22(15)10-8-20-16)14-7-4-9-23(14)18(24)25-12-13-5-2-1-3-6-13;15-12(16)11-7-4-8-14(11)13(17)18-9-10-5-2-1-3-6-10;2*6-5-4(3-7)8-1-2-9-5;1-6-3-4-7(2)5(6)8/h1-3,5-6,8,10,13H,4,7,9,11H2;1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21);1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24);1-3,5-6,8,10-11,14H,4,7,9,12H2;1-3,5-6,11H,4,7-9H2,(H,15,16);1-2H,3,7H2;1-2H;3-4H2,1-2H3/t2*13-;15-;14-;11-;;;/m00000.../s1.

What are the key properties of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?

benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 2230.16 g/mol, XLogP of 18.02, 18 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-chloroimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine;1,3-dimethylimidazolidin-2-one;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 161034636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).