1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea

C22H19FN6O2 — CID 122305455

IUPAC1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)n1
InChIInChI=1S/C22H19FN6O2/c1-14-13-15(2)29(28-14)20-11-12-21(27-26-20)31-17-9-7-16(8-10-17)24-22(30)25-19-6-4-3-5-18(19)23/h3-13H,1-2H3,(H2,24,25,30)
InChIKeyWLERNBWJZDOISL-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.85
Rot. Bonds5

About 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea

1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea (PubChem CID 122305455) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
PubChem CID122305455
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea
SMILESCc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)n1
InChIInChI=1S/C22H19FN6O2/c1-14-13-15(2)29(28-14)20-11-12-21(27-26-20)31-17-9-7-16(8-10-17)24-22(30)25-19-6-4-3-5-18(19)23/h3-13H,1-2H3,(H2,24,25,30)
InChIKeyWLERNBWJZDOISL-UHFFFAOYSA-N
XLogP4.85
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-difluorophenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305448
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(4-methoxy-2-methylphenyl)urea
CID 122305447
1-(3,5-dimethoxyphenyl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305444
2-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-6-fluorobenzamide
CID 122305398
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-thiophen-2-ylurea
CID 122305717
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenoxybenzamide
CID 122305588
4-chloro-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305395
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305466
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305435
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-1,2-oxazole-5-carboxamide
CID 122305535
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]furan-2-carboxamide
CID 122305413

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea (CID 122305455) is 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea is Cc1cc(C)n(-c2ccc(Oc3ccc(NC(=O)Nc4ccccc4F)cc3)nn2)n1.
What is the InChIKey of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea?
The InChIKey is WLERNBWJZDOISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-14-13-15(2)29(28-14)20-11-12-21(27-26-20)31-17-9-7-16(8-10-17)24-22(30)25-19-6-4-3-5-18(19)23/h3-13H,1-2H3,(H2,24,25,30).
What are the key properties of 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea?
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea has a molecular weight of 418.43 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 122305455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).