1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea

C21H17ClN6O3 — CID 122304687

IUPAC1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H17ClN6O3/c1-30-18-8-3-14(22)13-17(18)25-21(29)24-15-4-6-16(7-5-15)31-20-10-9-19(26-27-20)28-12-2-11-23-28/h2-13H,1H3,(H2,24,25,29)
InChIKeyGCYQUWXLSWFDFA-UHFFFAOYSA-N
MW436.86 g/mol
LogP4.76
Rot. Bonds6

About 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea

1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 122304687) has the molecular formula C21H17ClN6O3 and a molecular weight of 436.86 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
PubChem CID122304687
Molecular FormulaC21H17ClN6O3
Molecular Weight436.86 g/mol
Exact Mass436.11
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESCOc1ccc(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H17ClN6O3/c1-30-18-8-3-14(22)13-17(18)25-21(29)24-15-4-6-16(7-5-15)31-20-10-9-19(26-27-20)28-12-2-11-23-28/h2-13H,1H3,(H2,24,25,29)
InChIKeyGCYQUWXLSWFDFA-UHFFFAOYSA-N
XLogP4.76
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.86
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-2-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304662
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
1-(2-chlorophenyl)-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309662
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304664
1-(2,3-dimethoxyphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122310302
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
1-(5-chloro-2-methoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 122311158
5-chloro-2-methoxy-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306552
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122310300
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea (CID 122304687) is 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea is COc1ccc(Cl)cc1NC(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is GCYQUWXLSWFDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN6O3/c1-30-18-8-3-14(22)13-17(18)25-21(29)24-15-4-6-16(7-5-15)31-20-10-9-19(26-27-20)28-12-2-11-23-28/h2-13H,1H3,(H2,24,25,29).
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 436.86 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 122304687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).