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

C82H78Br2Cl5N23O9 — CID 159725381

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

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 (PubChem CID 159725381) has the molecular formula C82H78Br2Cl5N23O9 and a molecular weight of 1866.75 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.

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
• PubChem CID: 159725381
• Molecular Formula: C82H78Br2Cl5N23O9
• Molecular Weight: 1866.75 g/mol
• Exact Mass: 1861.32
• 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
• SMILES: N#Cc1nccnc1Cl.NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[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.C5H6ClN3.C5H2ClN3/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;2*6-5-4(3-7)8-1-2-9-5/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;1-2H,3,7H2;1-2H/t2*13-;15-;14-;;/m0000../s1
• InChIKey: NAOIAASGJAHSJX-MBEJRPAGSA-N
• XLogP: 16.16
• TPSA: 391.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.75
LogP ≤ 5	16.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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?

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 (CID 159725381) 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.

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?

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 is N#Cc1nccnc1Cl.NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[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?

The InChIKey is NAOIAASGJAHSJX-MBEJRPAGSA-N. The full InChI is InChI=1S/C18H16BrClN4O2.C18H18BrN5O2.C18H19ClN4O3.C18H17ClN4O2.C5H6ClN3.C5H2ClN3/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;2*6-5-4(3-7)8-1-2-9-5/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;1-2H,3,7H2;1-2H/t2*13-;15-;14-;;/m0000../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?

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 has a molecular weight of 1866.75 g/mol, XLogP of 16.16, 15 rotatable bonds, 3 hydrogen bond donors, and 27 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 is sourced from PubChem (CID 159725381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).