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

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Related Compounds

5-[[5-bromo-4-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 59613364
5-[[6-bromo-5-(piperidin-4-ylmethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595069
5-[[5-amino-4-(piperidin-4-ylmethoxy)-2-pyridinyl]amino]pyrazine-2-carbonitrile
CID 42610357
5-[[5-(cyclohexylmethylamino)-6-methylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167633129
5-[[5-[(1,4-dimethylpiperidin-4-yl)methylamino]-6-methoxypyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594911
tert-butyl 4-[[2-[(5-cyanopyrazin-2-yl)amino]-5-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]oxymethyl]piperidine-1-carboxylate
CID 59613336
5-[[6-iodo-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155594661
5-[[6-methyl-5-[[(2S)-morpholin-2-yl]methoxy]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 167562474
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147807
5-[[6-(1,1-difluoroethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 155595018
5-[[2-(cyclopropylmethoxy)-4-methylphenyl]methylamino]pyrazine-2-carbonitrile
CID 133490921
12-[(1-methylpiperidin-4-yl)methoxy]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266586

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).