2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid

C69H55BCl4N22O8 — CID 158645446

About 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid

2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid (PubChem CID 158645446) has the molecular formula C69H55BCl4N22O8 and a molecular weight of 1472.97 g/mol. Its IUPAC name is 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid.

Molecular Properties

• Compound Name: 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid
• PubChem CID: 158645446
• Molecular Formula: C69H55BCl4N22O8
• Molecular Weight: 1472.97 g/mol
• Exact Mass: 1470.34
• IUPAC Name: 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid
• SMILES: COc1cc(OC)nc(-c2cnc3ccccn23)n1.COc1cc(OC)nc(Cl)n1.Clc1cc(-c2cccnc2)nc(-c2cnc3ccccn23)n1.Clc1cc(Cl)nc(-c2cnc3ccccn23)n1.O=c1cc(O)nc(-c2cnc3ccccn23)[nH]1.OB(O)c1cccnc1.c1ccn2ccnc2c1
• InChI: InChI=1S/C16H10ClN5.C13H12N4O2.C11H6Cl2N4.C11H8N4O2.C7H6N2.C6H7ClN2O2.C5H6BNO2/c17-14-8-12(11-4-3-6-18-9-11)20-16(21-14)13-10-19-15-5-1-2-7-22(13)15;1-18-11-7-12(19-2)16-13(15-11)9-8-14-10-5-3-4-6-17(9)10;12-8-5-9(13)16-11(15-8)7-6-14-10-3-1-2-4-17(7)10;16-9-5-10(17)14-11(13-9)7-6-12-8-3-1-2-4-15(7)8;1-2-5-9-6-4-8-7(9)3-1;1-10-4-3-5(11-2)9-6(7)8-4;8-6(9)5-2-1-3-7-4-5/h1-10H;3-8H,1-2H3;1-6H;1-6H,(H2,13,14,16,17);1-6H;3H,1-2H3;1-4,8-9H
• InChIKey: IAXFRJADZRCKGV-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 358.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.97
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid?

The IUPAC name of 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid (CID 158645446) is 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid.

What is the SMILES notation for 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid?

The canonical SMILES for 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid is COc1cc(OC)nc(-c2cnc3ccccn23)n1.COc1cc(OC)nc(Cl)n1.Clc1cc(-c2cccnc2)nc(-c2cnc3ccccn23)n1.Clc1cc(Cl)nc(-c2cnc3ccccn23)n1.O=c1cc(O)nc(-c2cnc3ccccn23)[nH]1.OB(O)c1cccnc1.c1ccn2ccnc2c1.

What is the InChIKey of 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid?

The InChIKey is IAXFRJADZRCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5.C13H12N4O2.C11H6Cl2N4.C11H8N4O2.C7H6N2.C6H7ClN2O2.C5H6BNO2/c17-14-8-12(11-4-3-6-18-9-11)20-16(21-14)13-10-19-15-5-1-2-7-22(13)15;1-18-11-7-12(19-2)16-13(15-11)9-8-14-10-5-3-4-6-17(9)10;12-8-5-9(13)16-11(15-8)7-6-14-10-3-1-2-4-17(7)10;16-9-5-10(17)14-11(13-9)7-6-12-8-3-1-2-4-15(7)8;1-2-5-9-6-4-8-7(9)3-1;1-10-4-3-5(11-2)9-6(7)8-4;8-6(9)5-2-1-3-7-4-5/h1-10H;3-8H,1-2H3;1-6H;1-6H,(H2,13,14,16,17);1-6H;3H,1-2H3;1-4,8-9H.

What are the key properties of 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid?

2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid has a molecular weight of 1472.97 g/mol, XLogP of 10.45, 10 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid is sourced from PubChem (CID 158645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).