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

C29H17BrF2N6 — CID 52953339

IUPAC2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1
InChIInChI=1S/C29H17BrF2N6/c30-19-2-8-23-17(12-19)11-18(14-33-23)27-29(34-22-6-3-20(31)4-7-22)38-15-16(1-10-26(38)37-27)28-35-24-9-5-21(32)13-25(24)36-28/h1-15,34H,(H,35,36)
InChIKeyHBHRRWOIDZQPBQ-UHFFFAOYSA-N
MW567.40 g/mol
LogP7.88
Rot. Bonds4

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

2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 52953339) has the molecular formula C29H17BrF2N6 and a molecular weight of 567.40 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID52953339
Molecular FormulaC29H17BrF2N6
Molecular Weight567.40 g/mol
Exact Mass566.07
IUPAC Name2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1
InChIInChI=1S/C29H17BrF2N6/c30-19-2-8-23-17(12-19)11-18(14-33-23)27-29(34-22-6-3-20(31)4-7-22)38-15-16(1-10-26(38)37-27)28-35-24-9-5-21(32)13-25(24)36-28/h1-15,34H,(H,35,36)
InChIKeyHBHRRWOIDZQPBQ-UHFFFAOYSA-N
XLogP7.88
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.40
LogP ≤ 57.88
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)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 52953339) is 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is Fc1ccc(Nc2c(-c3cnc4ccc(Br)cc4c3)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HBHRRWOIDZQPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17BrF2N6/c30-19-2-8-23-17(12-19)11-18(14-33-23)27-29(34-22-6-3-20(31)4-7-22)38-15-16(1-10-26(38)37-27)28-35-24-9-5-21(32)13-25(24)36-28/h1-15,34H,(H,35,36).
What are the key properties of 2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
2-(6-bromoquinolin-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 567.40 g/mol, XLogP of 7.88, 4 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)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 52953339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).