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

C31H22BrFN6 — CID 53232282

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C31H22BrFN6/c1-18-2-4-19(5-3-18)27-16-35-30(37-27)20-6-13-28-38-29(25-15-34-26-12-7-21(32)14-24(25)26)31(39(28)17-20)36-23-10-8-22(33)9-11-23/h2-17,34,36H,1H3,(H,35,37)
InChIKeyKKRPTECAKVQULR-UHFFFAOYSA-N
MW577.46 g/mol
LogP8.49
Rot. Bonds5

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

2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 53232282) has the molecular formula C31H22BrFN6 and a molecular weight of 577.46 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID53232282
Molecular FormulaC31H22BrFN6
Molecular Weight577.46 g/mol
Exact Mass576.11
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C31H22BrFN6/c1-18-2-4-19(5-3-18)27-16-35-30(37-27)20-6-13-28-38-29(25-15-34-26-12-7-21(32)14-24(25)26)31(39(28)17-20)36-23-10-8-22(33)9-11-23/h2-17,34,36H,1H3,(H,35,37)
InChIKeyKKRPTECAKVQULR-UHFFFAOYSA-N
XLogP8.49
TPSA73.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.46
LogP ≤ 58.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1H-indol-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-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 53232282) is 2-(5-bromo-1H-indol-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-(5-bromo-1H-indol-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-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KKRPTECAKVQULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22BrFN6/c1-18-2-4-19(5-3-18)27-16-35-30(37-27)20-6-13-28-38-29(25-15-34-26-12-7-21(32)14-24(25)26)31(39(28)17-20)36-23-10-8-22(33)9-11-23/h2-17,34,36H,1H3,(H,35,37).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-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 577.46 g/mol, XLogP of 8.49, 5 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)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53232282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).