1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine

C32H23Cl3N8 — CID 87468511

About 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine

1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine (PubChem CID 87468511) has the molecular formula C32H23Cl3N8 and a molecular weight of 625.95 g/mol. Its IUPAC name is 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine.

Molecular Properties

• Compound Name: 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine
• PubChem CID: 87468511
• Molecular Formula: C32H23Cl3N8
• Molecular Weight: 625.95 g/mol
• Exact Mass: 624.11
• IUPAC Name: 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine
• SMILES: NC(NCc1cc(-c2cnc3cc(Cl)ccn23)cc(-c2ccccc2)n1)c1cc(-c2cnc3cc(Cl)ccn23)cc(Cl)n1
• InChI: InChI=1S/C32H23Cl3N8/c33-22-6-8-42-27(17-37-30(42)14-22)20-10-24(40-25(11-20)19-4-2-1-3-5-19)16-39-32(36)26-12-21(13-29(35)41-26)28-18-38-31-15-23(34)7-9-43(28)31/h1-15,17-18,32,39H,16,36H2
• InChIKey: MPKZXWDUNYGUJF-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 98.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.95
LogP ≤ 5	7.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine?

The IUPAC name of 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine (CID 87468511) is 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine.

What is the SMILES notation for 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine?

The canonical SMILES for 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine is NC(NCc1cc(-c2cnc3cc(Cl)ccn23)cc(-c2ccccc2)n1)c1cc(-c2cnc3cc(Cl)ccn23)cc(Cl)n1.

What is the InChIKey of 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine?

The InChIKey is MPKZXWDUNYGUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23Cl3N8/c33-22-6-8-42-27(17-37-30(42)14-22)20-10-24(40-25(11-20)19-4-2-1-3-5-19)16-39-32(36)26-12-21(13-29(35)41-26)28-18-38-31-15-23(34)7-9-43(28)31/h1-15,17-18,32,39H,16,36H2.

What are the key properties of 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine?

1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine has a molecular weight of 625.95 g/mol, XLogP of 7.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-chloro-4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]-N'-[[4-(7-chloroimidazo[1,2-a]pyridin-3-yl)-6-phenyl-2-pyridinyl]methyl]methanediamine is sourced from PubChem (CID 87468511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).