2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

C28H17BrF2N6 — CID 53232165

IUPAC2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1
InChIInChI=1S/C28H17BrF2N6/c29-16-2-8-22-20(11-16)21(13-32-22)26-28(33-19-6-3-17(30)4-7-19)37-14-15(1-10-25(37)36-26)27-34-23-9-5-18(31)12-24(23)35-27/h1-14,32-33H,(H,34,35)
InChIKeyXELXAFZQJMQQLE-UHFFFAOYSA-N
MW555.39 g/mol
LogP7.81
Rot. Bonds4

About 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine

2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 53232165) has the molecular formula C28H17BrF2N6 and a molecular weight of 555.39 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID53232165
Molecular FormulaC28H17BrF2N6
Molecular Weight555.39 g/mol
Exact Mass554.07
IUPAC Name2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine
SMILESFc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1
InChIInChI=1S/C28H17BrF2N6/c29-16-2-8-22-20(11-16)21(13-32-22)26-28(33-19-6-3-17(30)4-7-19)37-14-15(1-10-25(37)36-26)27-34-23-9-5-18(31)12-24(23)35-27/h1-14,32-33H,(H,34,35)
InChIKeyXELXAFZQJMQQLE-UHFFFAOYSA-N
XLogP7.81
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.39
LogP ≤ 57.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine (CID 53232165) is 2-(5-bromo-1H-indol-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-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is Fc1ccc(Nc2c(-c3c[nH]c4ccc(Br)cc34)nc3ccc(-c4nc5ccc(F)cc5[nH]4)cn23)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XELXAFZQJMQQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17BrF2N6/c29-16-2-8-22-20(11-16)21(13-32-22)26-28(33-19-6-3-17(30)4-7-19)37-14-15(1-10-25(37)36-26)27-34-23-9-5-18(31)12-24(23)35-27/h1-14,32-33H,(H,34,35).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 555.39 g/mol, XLogP of 7.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1H-indol-3-yl)-6-(6-fluoro-1H-benzimidazol-2-yl)-N-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53232165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).