5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide

C21H17BrN4O — CID 122283713

About 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide

5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide (PubChem CID 122283713) has the molecular formula C21H17BrN4O and a molecular weight of 421.30 g/mol. Its IUPAC name is 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
• PubChem CID: 122283713
• Molecular Formula: C21H17BrN4O
• Molecular Weight: 421.30 g/mol
• Exact Mass: 420.06
• IUPAC Name: 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide
• SMILES: Cc1ccn2cc(-c3ccc(C)c(NC(=O)c4cncc(Br)c4)c3)nc2c1
• InChI: InChI=1S/C21H17BrN4O/c1-13-5-6-26-12-19(24-20(26)7-13)15-4-3-14(2)18(9-15)25-21(27)16-8-17(22)11-23-10-16/h3-12H,1-2H3,(H,25,27)
• InChIKey: VNLNDKRWWXBSRA-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.30
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide?

The IUPAC name of 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide (CID 122283713) is 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide is Cc1ccn2cc(-c3ccc(C)c(NC(=O)c4cncc(Br)c4)c3)nc2c1.

What is the InChIKey of 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide?

The InChIKey is VNLNDKRWWXBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN4O/c1-13-5-6-26-12-19(24-20(26)7-13)15-4-3-14(2)18(9-15)25-21(27)16-8-17(22)11-23-10-16/h3-12H,1-2H3,(H,25,27).

What are the key properties of 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide?

5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 421.30 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122283713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).