2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine

C32H22BrFN6 — CID 53230613

IUPAC2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2cnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C32H22BrFN6/c1-19-2-4-20(5-3-19)28-17-36-31(38-28)21-6-13-29-39-30(23-14-22-15-24(33)7-12-27(22)35-16-23)32(40(29)18-21)37-26-10-8-25(34)9-11-26/h2-18,37H,1H3,(H,36,38)
InChIKeyWHHQMYRKBIGIAV-UHFFFAOYSA-N
MW589.47 g/mol
LogP8.56
Rot. Bonds5

About 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine

2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 53230613) has the molecular formula C32H22BrFN6 and a molecular weight of 589.47 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID53230613
Molecular FormulaC32H22BrFN6
Molecular Weight589.47 g/mol
Exact Mass588.11
IUPAC Name2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2cnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C32H22BrFN6/c1-19-2-4-20(5-3-19)28-17-36-31(38-28)21-6-13-29-39-30(23-14-22-15-24(33)7-12-27(22)35-16-23)32(40(29)18-21)37-26-10-8-25(34)9-11-26/h2-18,37H,1H3,(H,36,38)
InChIKeyWHHQMYRKBIGIAV-UHFFFAOYSA-N
XLogP8.56
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.47
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 53230613) is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2cnc(-c3ccc4nc(-c5cnc6ccc(Br)cc6c5)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is WHHQMYRKBIGIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22BrFN6/c1-19-2-4-20(5-3-19)28-17-36-31(38-28)21-6-13-29-39-30(23-14-22-15-24(33)7-12-27(22)35-16-23)32(40(29)18-21)37-26-10-8-25(34)9-11-26/h2-18,37H,1H3,(H,36,38).
What are the key properties of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 589.47 g/mol, XLogP of 8.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53230613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).