1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

C21H17FN6O2 — CID 122306221

IUPAC1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1F
InChIInChI=1S/C21H17FN6O2/c1-14-2-3-16(12-18(14)22)25-21(29)24-15-4-6-17(7-5-15)30-20-9-8-19(26-27-20)28-11-10-23-13-28/h2-13H,1H3,(H2,24,25,29)
InChIKeyDTADRBWCZWROOU-UHFFFAOYSA-N
MW404.41 g/mol
LogP4.55
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 122306221) has the molecular formula C21H17FN6O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
PubChem CID122306221
Molecular FormulaC21H17FN6O2
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1F
InChIInChI=1S/C21H17FN6O2/c1-14-2-3-16(12-18(14)22)25-21(29)24-15-4-6-17(7-5-15)30-20-9-8-19(26-27-20)28-11-10-23-13-28/h2-13H,1H3,(H2,24,25,29)
InChIKeyDTADRBWCZWROOU-UHFFFAOYSA-N
XLogP4.55
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
1-(2,4-dimethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306212
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306276
N-(3-fluoro-4-methylphenyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 121114084
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
1-(3,4-dimethylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122306583
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
1-(3-chloro-4-fluorophenyl)-3-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122311934
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122312314
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (CID 122306221) is 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is Cc1ccc(NC(=O)Nc2ccc(Oc3ccc(-n4ccnc4)nn3)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is DTADRBWCZWROOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O2/c1-14-2-3-16(12-18(14)22)25-21(29)24-15-4-6-17(7-5-15)30-20-9-8-19(26-27-20)28-11-10-23-13-28/h2-13H,1H3,(H2,24,25,29).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 404.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 122306221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).