benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine

C81H84Br2Cl4N20O9 — CID 158592549

About benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine

benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine (PubChem CID 158592549) has the molecular formula C81H84Br2Cl4N20O9 and a molecular weight of 1783.31 g/mol. Its IUPAC name is benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine.

Molecular Properties

• Compound Name: benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine
• PubChem CID: 158592549
• Molecular Formula: C81H84Br2Cl4N20O9
• Molecular Weight: 1783.31 g/mol
• Exact Mass: 1778.39
• IUPAC Name: benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine
• SMILES: NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(Br)c3c(Cl)nccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3c(Cl)nccn23)C1
• InChI: InChI=1S/C19H18BrClN4O2.C19H20BrN5O2.C19H21ClN4O3.C19H19ClN4O2.C5H6ClN3/c2*20-16-15-17(21)22-8-10-25(15)18(23-16)14-7-4-9-24(11-14)19(26)27-12-13-5-2-1-3-6-13;20-17-16(21-8-9-22-17)11-23-18(25)15-7-4-10-24(12-15)19(26)27-13-14-5-2-1-3-6-14;20-17-16-11-22-18(24(16)10-8-21-17)15-7-4-9-23(12-15)19(25)26-13-14-5-2-1-3-6-14;6-5-4(3-7)8-1-2-9-5/h1-3,5-6,8,10,14H,4,7,9,11-12H2;1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,21,22);1-3,5-6,8-9,15H,4,7,10-13H2,(H,23,25);1-3,5-6,8,10-11,15H,4,7,9,12-13H2;1-2H,3,7H2/t2*14-;2*15-;/m1111./s1
• InChIKey: HUPSTXOOWSCBDA-BRIYGOEASA-N
• XLogP: 15.53
• TPSA: 341.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1783.31
LogP ≤ 5	15.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine?

The IUPAC name of benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine (CID 158592549) is benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine.

What is the SMILES notation for benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine?

The canonical SMILES for benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine is NCc1nccnc1Cl.Nc1nccn2c([C@@H]3CCCN(C(=O)OCc4ccccc4)C3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2nc(Br)c3c(Cl)nccn23)C1.O=C(OCc1ccccc1)N1CCC[C@@H](c2ncc3c(Cl)nccn23)C1.

What is the InChIKey of benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine?

The InChIKey is HUPSTXOOWSCBDA-BRIYGOEASA-N. The full InChI is InChI=1S/C19H18BrClN4O2.C19H20BrN5O2.C19H21ClN4O3.C19H19ClN4O2.C5H6ClN3/c2*20-16-15-17(21)22-8-10-25(15)18(23-16)14-7-4-9-24(11-14)19(26)27-12-13-5-2-1-3-6-13;20-17-16(21-8-9-22-17)11-23-18(25)15-7-4-10-24(12-15)19(26)27-13-14-5-2-1-3-6-14;20-17-16-11-22-18(24(16)10-8-21-17)15-7-4-9-23(12-15)19(25)26-13-14-5-2-1-3-6-14;6-5-4(3-7)8-1-2-9-5/h1-3,5-6,8,10,14H,4,7,9,11-12H2;1-3,5-6,8,10,14H,4,7,9,11-12H2,(H2,21,22);1-3,5-6,8-9,15H,4,7,10-13H2,(H,23,25);1-3,5-6,8,10-11,15H,4,7,9,12-13H2;1-2H,3,7H2/t2*14-;2*15-;/m1111./s1.

What are the key properties of benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine?

benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine has a molecular weight of 1783.31 g/mol, XLogP of 15.53, 15 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-(8-chloroimidazo[1,5-a]pyrazin-3-yl)piperidine-1-carboxylate;benzyl (3R)-3-[(3-chloropyrazin-2-yl)methylcarbamoyl]piperidine-1-carboxylate;(3-chloropyrazin-2-yl)methanamine is sourced from PubChem (CID 158592549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).