5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide

C24H19ClN4O3 — CID 118965065

About 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide

5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide (PubChem CID 118965065) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide.

Molecular Properties

• Compound Name: 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide
• PubChem CID: 118965065
• Molecular Formula: C24H19ClN4O3
• Molecular Weight: 446.89 g/mol
• Exact Mass: 446.11
• IUPAC Name: 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide
• SMILES: CC(C)=Cc1ccc(-c2nc3nc(Oc4ccc(C)c(C(=O)N=O)c4)[nH]c3cc2Cl)cc1
• InChI: InChI=1S/C24H19ClN4O3/c1-13(2)10-15-5-7-16(8-6-15)21-19(25)12-20-22(27-21)28-24(26-20)32-17-9-4-14(3)18(11-17)23(30)29-31/h4-12H,1-3H3,(H,26,27,28)
• InChIKey: YGEABMFMQJOHKO-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 97.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.89
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide?

The IUPAC name of 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide (CID 118965065) is 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide.

What is the SMILES notation for 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide?

The canonical SMILES for 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide is CC(C)=Cc1ccc(-c2nc3nc(Oc4ccc(C)c(C(=O)N=O)c4)[nH]c3cc2Cl)cc1.

What is the InChIKey of 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide?

The InChIKey is YGEABMFMQJOHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-13(2)10-15-5-7-16(8-6-15)21-19(25)12-20-22(27-21)28-24(26-20)32-17-9-4-14(3)18(11-17)23(30)29-31/h4-12H,1-3H3,(H,26,27,28).

What are the key properties of 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide?

5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide has a molecular weight of 446.89 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-chloro-5-[4-(2-methylprop-1-enyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]oxy]-2-methyl-N-oxobenzamide is sourced from PubChem (CID 118965065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).