5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C16H18BrN7O — CID 155594973

IUPAC5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(COc2cc(Nc3cnc(C#N)cn3)nnc2Br)CC1
InChIInChI=1S/C16H18BrN7O/c1-24-4-2-11(3-5-24)10-25-13-6-14(22-23-16(13)17)21-15-9-19-12(7-18)8-20-15/h6,8-9,11H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyAJPXVHVMUZEMFH-UHFFFAOYSA-N
MW404.27 g/mol
LogP2.36
Rot. Bonds5

About 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594973) has the molecular formula C16H18BrN7O and a molecular weight of 404.27 g/mol. Its IUPAC name is 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID155594973
Molecular FormulaC16H18BrN7O
Molecular Weight404.27 g/mol
Exact Mass403.08
IUPAC Name5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
SMILESCN1CCC(COc2cc(Nc3cnc(C#N)cn3)nnc2Br)CC1
InChIInChI=1S/C16H18BrN7O/c1-24-4-2-11(3-5-24)10-25-13-6-14(22-23-16(13)17)21-15-9-19-12(7-18)8-20-15/h6,8-9,11H,2-5,10H2,1H3,(H,20,21,22)
InChIKeyAJPXVHVMUZEMFH-UHFFFAOYSA-N
XLogP2.36
TPSA99.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594973) is 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is CN1CCC(COc2cc(Nc3cnc(C#N)cn3)nnc2Br)CC1.
What is the InChIKey of 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is AJPXVHVMUZEMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN7O/c1-24-4-2-11(3-5-24)10-25-13-6-14(22-23-16(13)17)21-15-9-19-12(7-18)8-20-15/h6,8-9,11H,2-5,10H2,1H3,(H,20,21,22).
What are the key properties of 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile?
5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 404.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-bromo-5-[(1-methylpiperidin-4-yl)methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).