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

C30H19BrFN7O2 — CID 53232281

IUPAC2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C30H19BrFN7O2/c31-19-4-11-25-23(13-19)24(14-33-25)28-30(35-21-7-5-20(32)6-8-21)38-16-18(3-12-27(38)37-28)29-34-15-26(36-29)17-1-9-22(10-2-17)39(40)41/h1-16,33,35H,(H,34,36)
InChIKeyHJJLROJKRFTYHI-UHFFFAOYSA-N
MW608.43 g/mol
LogP8.09
Rot. Bonds6

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

2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 53232281) has the molecular formula C30H19BrFN7O2 and a molecular weight of 608.43 g/mol. Its IUPAC name is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-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-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID53232281
Molecular FormulaC30H19BrFN7O2
Molecular Weight608.43 g/mol
Exact Mass607.08
IUPAC Name2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2cnc(-c3ccc4nc(-c5c[nH]c6ccc(Br)cc56)c(Nc5ccc(F)cc5)n4c3)[nH]2)cc1
InChIInChI=1S/C30H19BrFN7O2/c31-19-4-11-25-23(13-19)24(14-33-25)28-30(35-21-7-5-20(32)6-8-21)38-16-18(3-12-27(38)37-28)29-34-15-26(36-29)17-1-9-22(10-2-17)39(40)41/h1-16,33,35H,(H,34,36)
InChIKeyHJJLROJKRFTYHI-UHFFFAOYSA-N
XLogP8.09
TPSA116.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.43
LogP ≤ 58.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-nitrophenyl)-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-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 53232281) is 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-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-nitrophenyl)-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-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is O=[N+]([O-])c1ccc(-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-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HJJLROJKRFTYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19BrFN7O2/c31-19-4-11-25-23(13-19)24(14-33-25)28-30(35-21-7-5-20(32)6-8-21)38-16-18(3-12-27(38)37-28)29-34-15-26(36-29)17-1-9-22(10-2-17)39(40)41/h1-16,33,35H,(H,34,36).
What are the key properties of 2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine?
2-(5-bromo-1H-indol-3-yl)-N-(4-fluorophenyl)-6-[5-(4-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 608.43 g/mol, XLogP of 8.09, 6 rotatable bonds, 3 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-nitrophenyl)-1H-imidazol-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 53232281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).