1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

C22H19FN6O2 — CID 122305087

IUPAC1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)nn2)n1
InChIInChI=1S/C22H19FN6O2/c1-14-3-4-17(13-19(14)23)25-22(30)24-16-5-7-18(8-6-16)31-21-10-9-20(26-27-21)29-12-11-15(2)28-29/h3-13H,1-2H3,(H2,24,25,30)
InChIKeyTWRUJHCOYFJCQX-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.85
Rot. Bonds5

About 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea

1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (PubChem CID 122305087) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
PubChem CID122305087
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
SMILESCc1ccn(-c2ccc(Oc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)nn2)n1
InChIInChI=1S/C22H19FN6O2/c1-14-3-4-17(13-19(14)23)25-22(30)24-16-5-7-18(8-6-16)31-21-10-9-20(26-27-21)29-12-11-15(2)28-29/h3-13H,1-2H3,(H2,24,25,30)
InChIKeyTWRUJHCOYFJCQX-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-fluoro-4-methylphenyl)-3-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122306221
1-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122305340
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
4-tert-butyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305003
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]naphthalene-2-carboxamide
CID 122305024
2-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305028
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbenzamide
CID 122305025
5-chloro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]thiophene-2-carboxamide
CID 122305218
3-(4-methoxyphenyl)-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]propanamide
CID 122305197
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]methanesulfonamide
CID 122305093
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
2,5-dimethyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305103

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea (CID 122305087) is 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is Cc1ccn(-c2ccc(Oc3ccc(NC(=O)Nc4ccc(C)c(F)c4)cc3)nn2)n1.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
The InChIKey is TWRUJHCOYFJCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-14-3-4-17(13-19(14)23)25-22(30)24-16-5-7-18(8-6-16)31-21-10-9-20(26-27-21)29-12-11-15(2)28-29/h3-13H,1-2H3,(H2,24,25,30).
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea?
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]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-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea is sourced from PubChem (CID 122305087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).