5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide

C19H13BrN6O2 — CID 122306305

IUPAC5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN6O2/c20-14-9-13(10-22-11-14)19(27)23-15-1-3-16(4-2-15)28-18-6-5-17(24-25-18)26-8-7-21-12-26/h1-12H,(H,23,27)
InChIKeyCZIBMGGQYHQBOT-UHFFFAOYSA-N
MW437.26 g/mol
LogP3.86
Rot. Bonds5

About 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide

5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide (PubChem CID 122306305) has the molecular formula C19H13BrN6O2 and a molecular weight of 437.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
PubChem CID122306305
Molecular FormulaC19H13BrN6O2
Molecular Weight437.26 g/mol
Exact Mass436.03
IUPAC Name5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cncc(Br)c1
InChIInChI=1S/C19H13BrN6O2/c20-14-9-13(10-22-11-14)19(27)23-15-1-3-16(4-2-15)28-18-6-5-17(24-25-18)26-8-7-21-12-26/h1-12H,(H,23,27)
InChIKeyCZIBMGGQYHQBOT-UHFFFAOYSA-N
XLogP3.86
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.26
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
5-bromo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 122309753
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
2-(difluoromethylsulfanyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306366
1-(2,4-dimethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306212
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
5-bromo-N-[4-(carbamoylamino)phenyl]pyridine-3-carboxamide
CID 33152161
(E)-3-(3,4-dimethoxyphenyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]prop-2-enamide
CID 122306183

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide (CID 122306305) is 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide?
The InChIKey is CZIBMGGQYHQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN6O2/c20-14-9-13(10-22-11-14)19(27)23-15-1-3-16(4-2-15)28-18-6-5-17(24-25-18)26-8-7-21-12-26/h1-12H,(H,23,27).
What are the key properties of 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide?
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide has a molecular weight of 437.26 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 122306305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).