benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate

C60H61Br2N7O7 — CID 159333796

About benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate

benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (PubChem CID 159333796) has the molecular formula C60H61Br2N7O7 and a molecular weight of 1152.00 g/mol. Its IUPAC name is benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
• PubChem CID: 159333796
• Molecular Formula: C60H61Br2N7O7
• Molecular Weight: 1152.00 g/mol
• Exact Mass: 1149.30
• IUPAC Name: benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate
• SMILES: Cc1cc(-c2ccccc2)c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)cn2c1.Cc1cc(Br)c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)cn2c1.O=C(CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C26H25N3O2.C20H20BrN3O2.C14H16BrNO3/c1-19-15-22(21-11-6-3-7-12-21)25-27-23(17-28(25)16-19)24-13-8-14-29(24)26(30)31-18-20-9-4-2-5-10-20;1-14-10-16(21)19-22-17(12-23(19)11-14)18-8-5-9-24(18)20(25)26-13-15-6-3-2-4-7-15;15-9-13(17)12-7-4-8-16(12)14(18)19-10-11-5-2-1-3-6-11/h2-7,9-12,15-17,24H,8,13-14,18H2,1H3;2-4,6-7,10-12,18H,5,8-9,13H2,1H3;1-3,5-6,12H,4,7-10H2/t24-;18-;12-/m000/s1
• InChIKey: LFGSDVZNRVRCAS-YSPBFGNKSA-N
• XLogP: 13.41
• TPSA: 140.29 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1152.00
LogP ≤ 5	13.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The IUPAC name of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate (CID 159333796) is benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate.

What is the SMILES notation for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The canonical SMILES for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is Cc1cc(-c2ccccc2)c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)cn2c1.Cc1cc(Br)c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)cn2c1.O=C(CBr)[C@@H]1CCCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

The InChIKey is LFGSDVZNRVRCAS-YSPBFGNKSA-N. The full InChI is InChI=1S/C26H25N3O2.C20H20BrN3O2.C14H16BrNO3/c1-19-15-22(21-11-6-3-7-12-21)25-27-23(17-28(25)16-19)24-13-8-14-29(24)26(30)31-18-20-9-4-2-5-10-20;1-14-10-16(21)19-22-17(12-23(19)11-14)18-8-5-9-24(18)20(25)26-13-15-6-3-2-4-7-15;15-9-13(17)12-7-4-8-16(12)14(18)19-10-11-5-2-1-3-6-11/h2-7,9-12,15-17,24H,8,13-14,18H2,1H3;2-4,6-7,10-12,18H,5,8-9,13H2,1H3;1-3,5-6,12H,4,7-10H2/t24-;18-;12-/m000/s1.

What are the key properties of benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate?

benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 1152.00 g/mol, XLogP of 13.41, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2S)-2-(2-bromoacetyl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(8-bromo-6-methylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate;benzyl (2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 159333796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).