benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium

C37H40BrClI4N9O5V — CID 159275263

About benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium

benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium (PubChem CID 159275263) has the molecular formula C37H40BrClI4N9O5V and a molecular weight of 1364.70 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-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium.

Molecular Properties

• Compound Name: benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium
• PubChem CID: 159275263
• Molecular Formula: C37H40BrClI4N9O5V
• Molecular Weight: 1364.70 g/mol
• Exact Mass: 1362.76
• IUPAC Name: benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium
• SMILES: CI.I[V](I)I.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C18H18BrN5O2.C18H19ClN4O3.CH3I.3HI.V/c19-15-14-16(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;1-2;;;;/h1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21);1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24);1H3;3*1H;/q;;;;;;+3/p-3/t13-;15-;;;;;/m00...../s1
• InChIKey: KYFOYJFOOSEXLR-GLEDPQNISA-K
• XLogP: 9.80
• TPSA: 170.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1364.70
LogP ≤ 5	9.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium?

The IUPAC name of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium (CID 159275263) is benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium.

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-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium?

The canonical SMILES for benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium is CI.I[V](I)I.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(Br)c12.O=C(NCc1nccnc1Cl)[C@@H]1CCCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium?

The InChIKey is KYFOYJFOOSEXLR-GLEDPQNISA-K. The full InChI is InChI=1S/C18H18BrN5O2.C18H19ClN4O3.CH3I.3HI.V/c19-15-14-16(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;1-2;;;;/h1-3,5-6,8,10,13H,4,7,9,11H2,(H2,20,21);1-3,5-6,8-9,15H,4,7,10-12H2,(H,22,24);1H3;3*1H;/q;;;;;;+3/p-3/t13-;15-;;;;;/m00...../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-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium?

benzyl (2S)-2-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium has a molecular weight of 1364.70 g/mol, XLogP of 9.80, 8 rotatable bonds, 2 hydrogen bond donors, and 11 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-[(3-chloropyrazin-2-yl)methylcarbamoyl]pyrrolidine-1-carboxylate;iodomethane;triiodovanadium is sourced from PubChem (CID 159275263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).