7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine

C21H11BrClFN4 — CID 146662062

IUPAC7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C21H11BrClFN4/c22-12-9-18-16(25-11-12)6-7-17(26-18)21-20(14-10-13(23)4-5-15(14)24)27-19-3-1-2-8-28(19)21/h1-11H
InChIKeyZILGVUAJIXWVJZ-UHFFFAOYSA-N
MW453.70 g/mol
LogP6.17
Rot. Bonds2

About 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine

7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine (PubChem CID 146662062) has the molecular formula C21H11BrClFN4 and a molecular weight of 453.70 g/mol. Its IUPAC name is 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
PubChem CID146662062
Molecular FormulaC21H11BrClFN4
Molecular Weight453.70 g/mol
Exact Mass451.98
IUPAC Name7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine
SMILESFc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2n1
InChIInChI=1S/C21H11BrClFN4/c22-12-9-18-16(25-11-12)6-7-17(26-18)21-20(14-10-13(23)4-5-15(14)24)27-19-3-1-2-8-28(19)21/h1-11H
InChIKeyZILGVUAJIXWVJZ-UHFFFAOYSA-N
XLogP6.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.70
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The IUPAC name of 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine (CID 146662062) is 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine.
What is the SMILES notation for 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The canonical SMILES for 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine is Fc1ccc(Cl)cc1-c1nc2ccccn2c1-c1ccc2ncc(Br)cc2n1.
What is the InChIKey of 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
The InChIKey is ZILGVUAJIXWVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrClFN4/c22-12-9-18-16(25-11-12)6-7-17(26-18)21-20(14-10-13(23)4-5-15(14)24)27-19-3-1-2-8-28(19)21/h1-11H.
What are the key properties of 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine?
7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine has a molecular weight of 453.70 g/mol, XLogP of 6.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-[2-(5-chloro-2-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-1,5-naphthyridine is sourced from PubChem (CID 146662062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).