N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine

C16H14BrN9 — CID 155150047

IUPACN-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(Br)n2c1
InChIInChI=1S/C16H14BrN9/c1-25-9-11(5-22-25)12-6-21-16(24-18)15(23-12)20-4-10-2-3-14-19-7-13(17)26(14)8-10/h2-3,5-9,18H,4H2,1H3,(H,20,23)/b24-18+
InChIKeyLFVLOOKYPVDYQO-HKOYGPOVSA-N
MW412.26 g/mol
LogP3.56
Rot. Bonds5

About N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine

N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine (PubChem CID 155150047) has the molecular formula C16H14BrN9 and a molecular weight of 412.26 g/mol. Its IUPAC name is N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine.

Molecular Properties

Compound NameN-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine
PubChem CID155150047
Molecular FormulaC16H14BrN9
Molecular Weight412.26 g/mol
Exact Mass411.06
IUPAC NameN-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine
SMILES[H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(Br)n2c1
InChIInChI=1S/C16H14BrN9/c1-25-9-11(5-22-25)12-6-21-16(24-18)15(23-12)20-4-10-2-3-14-19-7-13(17)26(14)8-10/h2-3,5-9,18H,4H2,1H3,(H,20,23)/b24-18+
InChIKeyLFVLOOKYPVDYQO-HKOYGPOVSA-N
XLogP3.56
TPSA109.14 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.26
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The IUPAC name of N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine (CID 155150047) is N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine.
What is the SMILES notation for N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The canonical SMILES for N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine is [H]/N=N/c1ncc(-c2cnn(C)c2)nc1NCc1ccc2ncc(Br)n2c1.
What is the InChIKey of N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine?
The InChIKey is LFVLOOKYPVDYQO-HKOYGPOVSA-N. The full InChI is InChI=1S/C16H14BrN9/c1-25-9-11(5-22-25)12-6-21-16(24-18)15(23-12)20-4-10-2-3-14-19-7-13(17)26(14)8-10/h2-3,5-9,18H,4H2,1H3,(H,20,23)/b24-18+.
What are the key properties of N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine?
N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine has a molecular weight of 412.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]-3-diazenyl-6-(1-methylpyrazol-4-yl)pyrazin-2-amine is sourced from PubChem (CID 155150047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).