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

C30H20BrFN6O — CID 53232283

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)o2)cc1
InChIInChI=1S/C30H20BrFN6O/c1-17-2-4-18(5-3-17)29-36-37-30(39-29)19-6-13-26-35-27(24-15-33-25-12-7-20(31)14-23(24)25)28(38(26)16-19)34-22-10-8-21(32)9-11-22/h2-16,33-34H,1H3
InChIKeyPFRDCSXDCPGWDF-UHFFFAOYSA-N
MW579.43 g/mol
LogP8.15
Rot. Bonds5

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

2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 53232283) has the molecular formula C30H20BrFN6O and a molecular weight of 579.43 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-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)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID53232283
Molecular FormulaC30H20BrFN6O
Molecular Weight579.43 g/mol
Exact Mass578.09
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)o2)cc1
InChIInChI=1S/C30H20BrFN6O/c1-17-2-4-18(5-3-17)29-36-37-30(39-29)19-6-13-26-35-27(24-15-33-25-12-7-20(31)14-23(24)25)28(38(26)16-19)34-22-10-8-21(32)9-11-22/h2-16,33-34H,1H3
InChIKeyPFRDCSXDCPGWDF-UHFFFAOYSA-N
XLogP8.15
TPSA84.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.43
LogP ≤ 58.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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)-1,3,4-oxadiazol-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)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 53232283) is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-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)-1,3,4-oxadiazol-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)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)o2)cc1.
What is the InChIKey of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is PFRDCSXDCPGWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20BrFN6O/c1-17-2-4-18(5-3-17)29-36-37-30(39-29)19-6-13-26-35-27(24-15-33-25-12-7-20(31)14-23(24)25)28(38(26)16-19)34-22-10-8-21(32)9-11-22/h2-16,33-34H,1H3.
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 579.43 g/mol, XLogP of 8.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53232283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).