2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

C16H9BrN6O — CID 169394720

IUPAC2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C16H9BrN6O/c17-12-6-9(2-3-13(12)23-5-1-4-21-23)14-10(7-18)15(20)22-16(24)11(14)8-19/h1-6H,(H3,20,22,24)
InChIKeyGGDBIIBUCKNJOO-UHFFFAOYSA-N
MW381.19 g/mol
LogP2.32
Rot. Bonds2

About 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394720) has the molecular formula C16H9BrN6O and a molecular weight of 381.19 g/mol. Its IUPAC name is 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394720
Molecular FormulaC16H9BrN6O
Molecular Weight381.19 g/mol
Exact Mass380.00
IUPAC Name2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-n2cccn2)c(Br)c1
InChIInChI=1S/C16H9BrN6O/c17-12-6-9(2-3-13(12)23-5-1-4-21-23)14-10(7-18)15(20)22-16(24)11(14)8-19/h1-6H,(H3,20,22,24)
InChIKeyGGDBIIBUCKNJOO-UHFFFAOYSA-N
XLogP2.32
TPSA124.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.19
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394720) is 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=O)c(C#N)c1-c1ccc(-n2cccn2)c(Br)c1.
What is the InChIKey of 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is GGDBIIBUCKNJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN6O/c17-12-6-9(2-3-13(12)23-5-1-4-21-23)14-10(7-18)15(20)22-16(24)11(14)8-19/h1-6H,(H3,20,22,24).
What are the key properties of 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 381.19 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromo-4-pyrazol-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).