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

C31H19BrF2N6 — CID 52953337

IUPAC2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1
InChIInChI=1S/C31H19BrF2N6/c32-22-4-11-26-20(14-22)13-21(15-35-26)29-31(37-25-9-7-24(34)8-10-25)40-17-19(3-12-28(40)39-29)30-36-16-27(38-30)18-1-5-23(33)6-2-18/h1-17,37H,(H,36,38)
InChIKeyOLNKKDQYAIGXLG-UHFFFAOYSA-N
MW593.44 g/mol
LogP8.39
Rot. Bonds5

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

2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 52953337) has the molecular formula C31H19BrF2N6 and a molecular weight of 593.44 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-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-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID52953337
Molecular FormulaC31H19BrF2N6
Molecular Weight593.44 g/mol
Exact Mass592.08
IUPAC Name2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1
InChIInChI=1S/C31H19BrF2N6/c32-22-4-11-26-20(14-22)13-21(15-35-26)29-31(37-25-9-7-24(34)8-10-25)40-17-19(3-12-28(40)39-29)30-36-16-27(38-30)18-1-5-23(33)6-2-18/h1-17,37H,(H,36,38)
InChIKeyOLNKKDQYAIGXLG-UHFFFAOYSA-N
XLogP8.39
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.44
LogP ≤ 58.39
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-fluorophenyl)-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-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 52953337) is 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4ncc(-c5ccc(F)cc5)[nH]4)cn23)cc1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is OLNKKDQYAIGXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19BrF2N6/c32-22-4-11-26-20(14-22)13-21(15-35-26)29-31(37-25-9-7-24(34)8-10-25)40-17-19(3-12-28(40)39-29)30-36-16-27(38-30)18-1-5-23(33)6-2-18/h1-17,37H,(H,36,38).
What are the key properties of 2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(6-bromoquinolin-3-yl)-N-(4-fluorophenyl)-6-[5-(4-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 593.44 g/mol, XLogP of 8.39, 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-fluorophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 52953337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).