5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide

C17H11BrN4O2 — CID 3241738

IUPAC5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H11BrN4O2/c18-15-6-5-14(24-15)16(23)20-12-4-1-3-11(9-12)13-10-22-8-2-7-19-17(22)21-13/h1-10H,(H,20,23)
InChIKeyXYRDNQOCDBOFKP-UHFFFAOYSA-N
MW383.21 g/mol
LogP4.00
Rot. Bonds3

About 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide

5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide (PubChem CID 3241738) has the molecular formula C17H11BrN4O2 and a molecular weight of 383.21 g/mol. Its IUPAC name is 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide
PubChem CID3241738
Molecular FormulaC17H11BrN4O2
Molecular Weight383.21 g/mol
Exact Mass382.01
IUPAC Name5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1
InChIInChI=1S/C17H11BrN4O2/c18-15-6-5-14(24-15)16(23)20-12-4-1-3-11(9-12)13-10-22-8-2-7-19-17(22)21-13/h1-10H,(H,20,23)
InChIKeyXYRDNQOCDBOFKP-UHFFFAOYSA-N
XLogP4.00
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide (CID 3241738) is 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide?
The InChIKey is XYRDNQOCDBOFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN4O2/c18-15-6-5-14(24-15)16(23)20-12-4-1-3-11(9-12)13-10-22-8-2-7-19-17(22)21-13/h1-10H,(H,20,23).
What are the key properties of 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide?
5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide has a molecular weight of 383.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3241738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).