1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol

C78H89Br2ClN18O7 — CID 158141689

About 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol (PubChem CID 158141689) has the molecular formula C78H89Br2ClN18O7 and a molecular weight of 1585.95 g/mol. Its IUPAC name is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol
• PubChem CID: 158141689
• Molecular Formula: C78H89Br2ClN18O7
• Molecular Weight: 1585.95 g/mol
• Exact Mass: 1582.52
• IUPAC Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol
• SMILES: C=CC(=O)N(C)c1cnc2nc(N3CC[C@@H](O)C3)n(Cc3ccccc3)c2c1.C=CC(=O)O.CCc1cnc2nc(N3CC[C@@H](O)C3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O[C@@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.O[C@@H]1CCNC1
• InChI: InChI=1S/C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H4O2.CH5N/c1-3-19(28)24(2)16-11-18-20(22-12-16)23-21(25-10-9-17(27)14-25)26(18)13-15-7-5-4-6-8-15;1-2-14-10-17-18(20-11-14)21-19(22-9-8-16(24)13-22)23(17)12-15-6-4-3-5-7-15;18-13-8-15-16(19-9-13)20-17(21-7-6-14(23)11-21)22(15)10-12-4-2-1-3-5-12;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-4-1-2-5-3-4;1-2-3(4)5;1-2/h3-8,11-12,17,27H,1,9-10,13-14H2,2H3;3-7,10-11,16,24H,2,8-9,12-13H2,1H3;1-5,8-9,14,23H,6-7,10-11H2;1-7H,8H2;4-6H,1-3H2;2H,1H2,(H,4,5);2H2,1H3/t17-;16-;14-;;4-;;/m111.1../s1
• InChIKey: FUADXWUTQVNHHV-QJKYYDIHSA-N
• XLogP: 10.69
• TPSA: 309.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.95
LogP ≤ 5	10.69
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol?

The IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol (CID 158141689) is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol.

What is the SMILES notation for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol?

The canonical SMILES for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol is C=CC(=O)N(C)c1cnc2nc(N3CC[C@@H](O)C3)n(Cc3ccccc3)c2c1.C=CC(=O)O.CCc1cnc2nc(N3CC[C@@H](O)C3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.O[C@@H]1CCN(c2nc3ncc(Br)cc3n2Cc2ccccc2)C1.O[C@@H]1CCNC1.

What is the InChIKey of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol?

The InChIKey is FUADXWUTQVNHHV-QJKYYDIHSA-N. The full InChI is InChI=1S/C21H23N5O2.C19H22N4O.C17H17BrN4O.C13H9BrClN3.C4H9NO.C3H4O2.CH5N/c1-3-19(28)24(2)16-11-18-20(22-12-16)23-21(25-10-9-17(27)14-25)26(18)13-15-7-5-4-6-8-15;1-2-14-10-17-18(20-11-14)21-19(22-9-8-16(24)13-22)23(17)12-15-6-4-3-5-7-15;18-13-8-15-16(19-9-13)20-17(21-7-6-14(23)11-21)22(15)10-12-4-2-1-3-5-12;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-4-1-2-5-3-4;1-2-3(4)5;1-2/h3-8,11-12,17,27H,1,9-10,13-14H2,2H3;3-7,10-11,16,24H,2,8-9,12-13H2,1H3;1-5,8-9,14,23H,6-7,10-11H2;1-7H,8H2;4-6H,1-3H2;2H,1H2,(H,4,5);2H2,1H3/t17-;16-;14-;;4-;;/m111.1../s1.

What are the key properties of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol?

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol has a molecular weight of 1585.95 g/mol, XLogP of 10.69, 15 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;(3R)-1-(1-benzyl-6-bromoimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;(3R)-1-(1-benzyl-6-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-3-ol;N-[1-benzyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;prop-2-enoic acid;(3R)-pyrrolidin-3-ol is sourced from PubChem (CID 158141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).