1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea

C21H18FN7O — CID 16839232

IUPAC1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
SMILESCc1ccn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)n1
InChIInChI=1S/C21H18FN7O/c1-14-12-13-29(28-14)20-11-10-19(26-27-20)23-16-6-8-18(9-7-16)25-21(30)24-17-4-2-15(22)3-5-17/h2-13H,1H3,(H,23,26)(H2,24,25,30)
InChIKeyVGIPVEXZCOFTTM-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.50
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea

1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea (PubChem CID 16839232) has the molecular formula C21H18FN7O and a molecular weight of 403.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
PubChem CID16839232
Molecular FormulaC21H18FN7O
Molecular Weight403.42 g/mol
Exact Mass403.16
IUPAC Name1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
SMILESCc1ccn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)n1
InChIInChI=1S/C21H18FN7O/c1-14-12-13-29(28-14)20-11-10-19(26-27-20)23-16-6-8-18(9-7-16)25-21(30)24-17-4-2-15(22)3-5-17/h2-13H,1H3,(H,23,26)(H2,24,25,30)
InChIKeyVGIPVEXZCOFTTM-UHFFFAOYSA-N
XLogP4.50
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)-3-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654396
2-fluoro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802134
4-fluoro-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305014
N-(4-bromophenyl)-2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]acetamide
CID 133291305
1-(3-fluoro-4-methylphenyl)-3-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]urea
CID 122305087
1-(2,5-dimethylphenyl)-3-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]urea
CID 16839226
3-(4-fluorophenyl)-1-methyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122292068
2,4-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802125
2,5-dimethyl-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802127
2,2-dimethyl-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]propanamide
CID 70702543
3-chloro-N-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 16802137
1-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3-(3-methylsulfanylphenyl)urea
CID 122327145

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea (CID 16839232) is 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea is Cc1ccn(-c2ccc(Nc3ccc(NC(=O)Nc4ccc(F)cc4)cc3)nn2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea?
The InChIKey is VGIPVEXZCOFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O/c1-14-12-13-29(28-14)20-11-10-19(26-27-20)23-16-6-8-18(9-7-16)25-21(30)24-17-4-2-15(22)3-5-17/h2-13H,1H3,(H,23,26)(H2,24,25,30).
What are the key properties of 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea?
1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea has a molecular weight of 403.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[4-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea is sourced from PubChem (CID 16839232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).