6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

C48H48BBrN8O6 — CID 157074666

About 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (PubChem CID 157074666) has the molecular formula C48H48BBrN8O6 and a molecular weight of 923.68 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• PubChem CID: 157074666
• Molecular Formula: C48H48BBrN8O6
• Molecular Weight: 923.68 g/mol
• Exact Mass: 922.30
• IUPAC Name: 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
• SMILES: Cc1cccc(CNc2ccc(-c3ccc4ncc(C(=O)O)n4c3)cn2)c1.Cc1cccc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1.O=C(O)c1cnc2ccc(Br)cn12
• InChI: InChI=1S/C21H18N4O2.C19H25BN2O2.C8H5BrN2O2/c1-14-3-2-4-15(9-14)10-22-19-7-5-16(11-23-19)17-6-8-20-24-12-18(21(26)27)25(20)13-17;1-14-7-6-8-15(11-14)12-21-17-10-9-16(13-22-17)20-23-18(2,3)19(4,5)24-20;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h2-9,11-13H,10H2,1H3,(H,22,23)(H,26,27);6-11,13H,12H2,1-5H3,(H,21,22);1-4H,(H,12,13)
• InChIKey: ACVHPJYPPVOCIS-UHFFFAOYSA-N
• XLogP: 9.11
• TPSA: 177.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	923.68
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The IUPAC name of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine (CID 157074666) is 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine.

What is the SMILES notation for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The canonical SMILES for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is Cc1cccc(CNc2ccc(-c3ccc4ncc(C(=O)O)n4c3)cn2)c1.Cc1cccc(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)c1.O=C(O)c1cnc2ccc(Br)cn12.

What is the InChIKey of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

The InChIKey is ACVHPJYPPVOCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2.C19H25BN2O2.C8H5BrN2O2/c1-14-3-2-4-15(9-14)10-22-19-7-5-16(11-23-19)17-6-8-20-24-12-18(21(26)27)25(20)13-17;1-14-7-6-8-15(11-14)12-21-17-10-9-16(13-22-17)20-23-18(2,3)19(4,5)24-20;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h2-9,11-13H,10H2,1H3,(H,22,23)(H,26,27);6-11,13H,12H2,1-5H3,(H,21,22);1-4H,(H,12,13).

What are the key properties of 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine?

6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine has a molecular weight of 923.68 g/mol, XLogP of 9.11, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;6-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylic acid;N-[(3-methylphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine is sourced from PubChem (CID 157074666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).