benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine

C84H83BrCl4N22O9 — CID 159124757

About benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine

benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine (PubChem CID 159124757) has the molecular formula C84H83BrCl4N22O9 and a molecular weight of 1766.45 g/mol. Its IUPAC name is benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine.

Molecular Properties

• Compound Name: benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine
• PubChem CID: 159124757
• Molecular Formula: C84H83BrCl4N22O9
• Molecular Weight: 1766.45 g/mol
• Exact Mass: 1762.47
• IUPAC Name: benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine
• SMILES: Cc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.Cc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)ncc12.N#Cc1nccnc1Cl.NCc1nccnc1Cl.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc2c(Cl)nccn12
• InChI: InChI=1S/C19H19BrN4O2.C19H20N4O2.C18H19ClN4O3.C18H17ClN4O2.C5H6ClN3.C5H2ClN3/c1-13-16-17(20)22-18(24(16)11-9-21-13)15-8-5-10-23(15)19(25)26-12-14-6-3-2-4-7-14;1-14-17-12-21-18(22(17)11-9-20-14)16-8-5-10-23(16)19(24)25-13-15-6-3-2-4-7-15;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;2*6-5-4(3-7)8-1-2-9-5/h2-4,6-7,9,11,15H,5,8,10,12H2,1H3;2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3;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;1-2H,3,7H2;1-2H/t15-;16-;15-;14-;;/m0000../s1
• InChIKey: KGDINIOIRHKPMK-OCLJDIQGSA-N
• XLogP: 15.78
• TPSA: 364.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1766.45
LogP ≤ 5	15.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

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-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine?

The IUPAC name of benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine (CID 159124757) is benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine.

What is the SMILES notation for benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine?

The canonical SMILES for benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine is Cc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.Cc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)ncc12.N#Cc1nccnc1Cl.NCc1nccnc1Cl.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1.O=C(OCc1ccccc1)N1CCC[C@H]1c1ncc2c(Cl)nccn12.

What is the InChIKey of benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine?

The InChIKey is KGDINIOIRHKPMK-OCLJDIQGSA-N. The full InChI is InChI=1S/C19H19BrN4O2.C19H20N4O2.C18H19ClN4O3.C18H17ClN4O2.C5H6ClN3.C5H2ClN3/c1-13-16-17(20)22-18(24(16)11-9-21-13)15-8-5-10-23(15)19(25)26-12-14-6-3-2-4-7-14;1-14-17-12-21-18(22(17)11-9-20-14)16-8-5-10-23(16)19(24)25-13-15-6-3-2-4-7-15;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;2*6-5-4(3-7)8-1-2-9-5/h2-4,6-7,9,11,15H,5,8,10,12H2,1H3;2-4,6-7,9,11-12,16H,5,8,10,13H2,1H3;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;1-2H,3,7H2;1-2H/t15-;16-;15-;14-;;/m0000../s1.

What are the key properties of benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine?

benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine has a molecular weight of 1766.45 g/mol, XLogP of 15.78, 15 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(1-bromo-8-methylimidazo[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;benzyl (2S)-2-(8-methylimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;3-chloropyrazine-2-carbonitrile;(3-chloropyrazin-2-yl)methanamine is sourced from PubChem (CID 159124757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).