1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride

C82H96Br2Cl2N18O6 — CID 159839848

About 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride (PubChem CID 159839848) has the molecular formula C82H96Br2Cl2N18O6 and a molecular weight of 1660.50 g/mol. Its IUPAC name is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride.

Molecular Properties

• Compound Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride
• PubChem CID: 159839848
• Molecular Formula: C82H96Br2Cl2N18O6
• Molecular Weight: 1660.50 g/mol
• Exact Mass: 1656.55
• IUPAC Name: 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride
• SMILES: Brc1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.NC1CCOCC1
• InChI: InChI=1S/C22H25N5O2.C20H24N4O.C18H19BrN4O.C13H9BrClN3.C5H11NO.C3H3ClO.CH5N/c1-3-20(28)26(2)18-13-19-21(23-14-18)25-22(24-17-9-11-29-12-10-17)27(19)15-16-7-5-4-6-8-16;1-2-15-12-18-19(21-13-15)23-20(22-17-8-10-25-11-9-17)24(18)14-16-6-4-3-5-7-16;19-14-10-16-17(20-11-14)22-18(21-15-6-8-24-9-7-15)23(16)12-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-5-1-3-7-4-2-5;1-2-3(4)5;1-2/h3-8,13-14,17H,1,9-12,15H2,2H3,(H,23,24,25);3-7,12-13,17H,2,8-11,14H2,1H3,(H,21,22,23);1-5,10-11,15H,6-9,12H2,(H,20,21,22);1-7H,8H2;5H,1-4,6H2;2H,1H2;2H2,1H3
• InChIKey: NONQRDXAAJFMGC-UHFFFAOYSA-N
• XLogP: 15.22
• TPSA: 285.27 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1660.50
LogP ≤ 5	15.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride?

The IUPAC name of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride (CID 159839848) is 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride.

What is the SMILES notation for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride?

The canonical SMILES for 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride is Brc1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.C=CC(=O)Cl.C=CC(=O)N(C)c1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.CCc1cnc2nc(NC3CCOCC3)n(Cc3ccccc3)c2c1.CN.Clc1nc2ncc(Br)cc2n1Cc1ccccc1.NC1CCOCC1.

What is the InChIKey of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride?

The InChIKey is NONQRDXAAJFMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C20H24N4O.C18H19BrN4O.C13H9BrClN3.C5H11NO.C3H3ClO.CH5N/c1-3-20(28)26(2)18-13-19-21(23-14-18)25-22(24-17-9-11-29-12-10-17)27(19)15-16-7-5-4-6-8-16;1-2-15-12-18-19(21-13-15)23-20(22-17-8-10-25-11-9-17)24(18)14-16-6-4-3-5-7-16;19-14-10-16-17(20-11-14)22-18(21-15-6-8-24-9-7-15)23(16)12-13-4-2-1-3-5-13;14-10-6-11-12(16-7-10)17-13(15)18(11)8-9-4-2-1-3-5-9;6-5-1-3-7-4-2-5;1-2-3(4)5;1-2/h3-8,13-14,17H,1,9-12,15H2,2H3,(H,23,24,25);3-7,12-13,17H,2,8-11,14H2,1H3,(H,21,22,23);1-5,10-11,15H,6-9,12H2,(H,20,21,22);1-7H,8H2;5H,1-4,6H2;2H,1H2;2H2,1H3.

What are the key properties of 1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride?

1-benzyl-6-bromo-2-chloroimidazo[4,5-b]pyridine;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride has a molecular weight of 1660.50 g/mol, XLogP of 15.22, 18 rotatable bonds, 5 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;1-benzyl-6-bromo-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;1-benzyl-6-ethyl-N-(oxan-4-yl)imidazo[4,5-b]pyridin-2-amine;N-[1-benzyl-2-(oxan-4-ylamino)imidazo[4,5-b]pyridin-6-yl]-N-methylprop-2-enamide;methanamine;oxan-4-amine;prop-2-enoyl chloride is sourced from PubChem (CID 159839848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).