2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

C21H16BrN5O3 — CID 122304881

IUPAC2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1
InChIInChI=1S/C21H16BrN5O3/c1-29-16-7-8-18(22)17(13-16)21(28)24-14-3-5-15(6-4-14)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28)
InChIKeyHYHHUZLQAULPGB-UHFFFAOYSA-N
MW466.30 g/mol
LogP4.48
Rot. Bonds6

About 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide

2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (PubChem CID 122304881) has the molecular formula C21H16BrN5O3 and a molecular weight of 466.30 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
PubChem CID122304881
Molecular FormulaC21H16BrN5O3
Molecular Weight466.30 g/mol
Exact Mass465.04
IUPAC Name2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1
InChIInChI=1S/C21H16BrN5O3/c1-29-16-7-8-18(22)17(13-16)21(28)24-14-3-5-15(6-4-14)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28)
InChIKeyHYHHUZLQAULPGB-UHFFFAOYSA-N
XLogP4.48
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304687
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]-1,3-benzodioxole-5-carboxamide
CID 122304656
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide (CID 122304881) is 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is COc1ccc(Br)c(C(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
The InChIKey is HYHHUZLQAULPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O3/c1-29-16-7-8-18(22)17(13-16)21(28)24-14-3-5-15(6-4-14)30-20-10-9-19(25-26-20)27-12-2-11-23-27/h2-13H,1H3,(H,24,28).
What are the key properties of 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide?
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide has a molecular weight of 466.30 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122304881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).