1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

C21H16F2N6O3 — CID 122306276

IUPAC1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C21H16F2N6O3/c22-20(23)32-17-3-1-2-15(12-17)26-21(30)25-14-4-6-16(7-5-14)31-19-9-8-18(27-28-19)29-11-10-24-13-29/h1-13,20H,(H2,25,26,30)
InChIKeyHSTKITUPIWEMGW-UHFFFAOYSA-N
MW438.39 g/mol
LogP4.70
Rot. Bonds7

About 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea

1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (PubChem CID 122306276) has the molecular formula C21H16F2N6O3 and a molecular weight of 438.39 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
PubChem CID122306276
Molecular FormulaC21H16F2N6O3
Molecular Weight438.39 g/mol
Exact Mass438.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
SMILESO=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C21H16F2N6O3/c22-20(23)32-17-3-1-2-15(12-17)26-21(30)25-14-4-6-16(7-5-14)31-19-9-8-18(27-28-19)29-11-10-24-13-29/h1-13,20H,(H2,25,26,30)
InChIKeyHSTKITUPIWEMGW-UHFFFAOYSA-N
XLogP4.70
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.39
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
1-(4-ethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306208
1-(2-chlorophenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306214
1-(2,4-dimethylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306212
3-chloro-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306150
2-(difluoromethylsulfanyl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122306366
2-ethyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306127
1-(3,5-dimethoxyphenyl)-3-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122307713
2-cyclopropyl-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122306370
5-bromo-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]pyridine-3-carboxamide
CID 122306305
4-(1,3-dioxoisoindol-2-yl)-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]butanamide
CID 122306357
1-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122306588

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea (CID 122306276) is 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is O=C(Nc1ccc(Oc2ccc(-n3ccnc3)nn2)cc1)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
The InChIKey is HSTKITUPIWEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O3/c22-20(23)32-17-3-1-2-15(12-17)26-21(30)25-14-4-6-16(7-5-14)31-19-9-8-18(27-28-19)29-11-10-24-13-29/h1-13,20H,(H2,25,26,30).
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea?
1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea has a molecular weight of 438.39 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea is sourced from PubChem (CID 122306276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).