[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

C15H14BrN7O — CID 67154304

IUPAC[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3cc(Br)ccc3nn2CCn2ccnc2)n1
InChIInChI=1S/C15H14BrN7O/c16-10-1-2-12-11(7-10)14(15-19-13(8-17)21-24-15)23(20-12)6-5-22-4-3-18-9-22/h1-4,7,9H,5-6,8,17H2
InChIKeyXCUAGKCXCFZYAW-UHFFFAOYSA-N
MW388.23 g/mol
LogP2.20
Rot. Bonds5

About [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine

[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 67154304) has the molecular formula C15H14BrN7O and a molecular weight of 388.23 g/mol. Its IUPAC name is [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID67154304
Molecular FormulaC15H14BrN7O
Molecular Weight388.23 g/mol
Exact Mass387.04
IUPAC Name[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine
SMILESNCc1noc(-c2c3cc(Br)ccc3nn2CCn2ccnc2)n1
InChIInChI=1S/C15H14BrN7O/c16-10-1-2-12-11(7-10)14(15-19-13(8-17)21-24-15)23(20-12)6-5-22-4-3-18-9-22/h1-4,7,9H,5-6,8,17H2
InChIKeyXCUAGKCXCFZYAW-UHFFFAOYSA-N
XLogP2.20
TPSA100.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine (CID 67154304) is [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is NCc1noc(-c2c3cc(Br)ccc3nn2CCn2ccnc2)n1.
What is the InChIKey of [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is XCUAGKCXCFZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN7O/c16-10-1-2-12-11(7-10)14(15-19-13(8-17)21-24-15)23(20-12)6-5-22-4-3-18-9-22/h1-4,7,9H,5-6,8,17H2.
What are the key properties of [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine?
[5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 388.23 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-bromo-2-(2-imidazol-1-ylethyl)indazol-3-yl]-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 67154304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).