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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Related Compounds

3-diazenyl-6-(1-methylpyrazol-4-yl)-N-[[3-(propan-2-yloxymethyl)imidazo[1,2-a]pyridin-6-yl]methyl]pyrazin-2-amine
CID 167146875
2-[4-[5-diazenyl-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)-2-pyridinyl]pyrazol-1-yl]ethanol
CID 167146802
5-(1-amino-3-methyliminoprop-1-en-2-yl)-3-N-[(3-bromoimidazo[1,2-a]pyridin-6-yl)methyl]pyrazine-2,3-diamine
CID 147770609
3-diazenyl-6-(1-piperidin-4-ylpyrazol-4-yl)-N-(thieno[3,2-c]pyridin-2-ylmethyl)pyrazin-2-amine
CID 139321238
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
CID 147859211
3-[(3-chloroimidazo[1,2-a]pyridin-6-yl)methyl]-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine
CID 53262254
3-hydrazinyl-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-6-(1-propylpyrazol-4-yl)pyrazin-2-amine
CID 155150035
2-(3-bromoimidazo[1,2-a]pyridin-6-yl)ethanamine
CID 83843131
2-[4-[5-amino-6-(imidazo[1,2-a]pyridin-6-ylmethylamino)pyrazin-2-yl]pyrazol-1-yl]ethanol
CID 139321220
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 31106692
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79947519

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).