5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine

C21H15Cl2N5O — CID 137368834

About 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine

5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368834) has the molecular formula C21H15Cl2N5O and a molecular weight of 424.29 g/mol. Its IUPAC name is 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137368834
• Molecular Formula: C21H15Cl2N5O
• Molecular Weight: 424.29 g/mol
• Exact Mass: 423.07
• IUPAC Name: 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine
• SMILES: COc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1
• InChI: InChI=1S/C21H15Cl2N5O/c1-29-13-5-6-14(15(22)10-13)17-3-2-4-20-24-12(11-28(17)20)9-19-25-16-7-8-18(23)26-21(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26,27)
• InChIKey: HSVXHDWAKZYAFJ-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.29
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368834) is 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(-c2cccc3nc(Cc4nc5nc(Cl)ccc5[nH]4)cn23)c(Cl)c1.

What is the InChIKey of 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is HSVXHDWAKZYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5O/c1-29-13-5-6-14(15(22)10-13)17-3-2-4-20-24-12(11-28(17)20)9-19-25-16-7-8-18(23)26-21(16)27-19/h2-8,10-11H,9H2,1H3,(H,25,26,27).

What are the key properties of 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine?

5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 424.29 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[5-(2-chloro-4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).