7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile

C97H96Br4IN19O6 — CID 159708153

About 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile

7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile (PubChem CID 159708153) has the molecular formula C97H96Br4IN19O6 and a molecular weight of 2070.48 g/mol. Its IUPAC name is 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile.

Molecular Properties

• Compound Name: 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile
• PubChem CID: 159708153
• Molecular Formula: C97H96Br4IN19O6
• Molecular Weight: 2070.48 g/mol
• Exact Mass: 2065.36
• IUPAC Name: 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile
• SMILES: Brc1ccn2c(I)cnc2c1.Brc1ccn2ccnc2c1.CC(C)(C)OC(=O)N1CC=C(c2cnc3cc(-c4ccccc4)ccn23)C1.CC(C)(C)OC(=O)N1CC=C(c2cnc3cc(Br)ccn23)C1.CC(C)(C)OC(=O)N1CCC(c2cnc3cc(-c4ccccc4)ccn23)C1.N#CN1CCC(c2cnc3cc(-c4ccccc4)ccn23)C1.Nc1cc(Br)ccn1
• InChI: InChI=1S/C22H25N3O2.C22H23N3O2.C18H16N4.C16H18BrN3O2.C7H4BrIN2.C7H5BrN2.C5H5BrN2/c2*1-22(2,3)27-21(26)24-11-9-18(15-24)19-14-23-20-13-17(10-12-25(19)20)16-7-5-4-6-8-16;19-13-21-8-6-16(12-21)17-11-20-18-10-15(7-9-22(17)18)14-4-2-1-3-5-14;1-16(2,3)22-15(21)19-6-4-11(10-19)13-9-18-14-8-12(17)5-7-20(13)14;8-5-1-2-11-6(9)4-10-7(11)3-5;8-6-1-3-10-4-2-9-7(10)5-6;6-4-1-2-8-5(7)3-4/h4-8,10,12-14,18H,9,11,15H2,1-3H3;4-10,12-14H,11,15H2,1-3H3;1-5,7,9-11,16H,6,8,12H2;4-5,7-9H,6,10H2,1-3H3;1-4H;1-5H;1-3H,(H2,7,8)
• InChIKey: MYMHLCVWQQVZBY-UHFFFAOYSA-N
• XLogP: 22.59
• TPSA: 258.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 7
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2070.48
LogP ≤ 5	22.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile?

The IUPAC name of 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile (CID 159708153) is 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile.

What is the SMILES notation for 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile?

The canonical SMILES for 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile is Brc1ccn2c(I)cnc2c1.Brc1ccn2ccnc2c1.CC(C)(C)OC(=O)N1CC=C(c2cnc3cc(-c4ccccc4)ccn23)C1.CC(C)(C)OC(=O)N1CC=C(c2cnc3cc(Br)ccn23)C1.CC(C)(C)OC(=O)N1CCC(c2cnc3cc(-c4ccccc4)ccn23)C1.N#CN1CCC(c2cnc3cc(-c4ccccc4)ccn23)C1.Nc1cc(Br)ccn1.

What is the InChIKey of 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile?

The InChIKey is MYMHLCVWQQVZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2.C22H23N3O2.C18H16N4.C16H18BrN3O2.C7H4BrIN2.C7H5BrN2.C5H5BrN2/c2*1-22(2,3)27-21(26)24-11-9-18(15-24)19-14-23-20-13-17(10-12-25(19)20)16-7-5-4-6-8-16;19-13-21-8-6-16(12-21)17-11-20-18-10-15(7-9-22(17)18)14-4-2-1-3-5-14;1-16(2,3)22-15(21)19-6-4-11(10-19)13-9-18-14-8-12(17)5-7-20(13)14;8-5-1-2-11-6(9)4-10-7(11)3-5;8-6-1-3-10-4-2-9-7(10)5-6;6-4-1-2-8-5(7)3-4/h4-8,10,12-14,18H,9,11,15H2,1-3H3;4-10,12-14H,11,15H2,1-3H3;1-5,7,9-11,16H,6,8,12H2;4-5,7-9H,6,10H2,1-3H3;1-4H;1-5H;1-3H,(H2,7,8).

What are the key properties of 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile?

7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile has a molecular weight of 2070.48 g/mol, XLogP of 22.59, 7 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromoimidazo[1,2-a]pyridine;7-bromo-3-iodoimidazo[1,2-a]pyridine;4-bromopyridin-2-amine;tert-butyl 3-(7-bromoimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)-2,5-dihydropyrrole-1-carboxylate;tert-butyl 3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carboxylate;3-(7-phenylimidazo[1,2-a]pyridin-3-yl)pyrrolidine-1-carbonitrile is sourced from PubChem (CID 159708153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).