1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea

C19H18F2N6O — CID 122321903

IUPAC1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C19H18F2N6O/c1-27(2)15-10-18(26-22-11-15)23-12-3-5-13(6-4-12)24-19(28)25-14-7-8-16(20)17(21)9-14/h3-11H,1-2H3,(H,23,26)(H2,24,25,28)
InChIKeyOIUZPOYCLSSRKP-UHFFFAOYSA-N
MW384.39 g/mol
LogP4.21
Rot. Bonds5

About 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea

1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea (PubChem CID 122321903) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
PubChem CID122321903
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC Name1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)c1
InChIInChI=1S/C19H18F2N6O/c1-27(2)15-10-18(26-22-11-15)23-12-3-5-13(6-4-12)24-19(28)25-14-7-8-16(20)17(21)9-14/h3-11H,1-2H3,(H,23,26)(H2,24,25,28)
InChIKeyOIUZPOYCLSSRKP-UHFFFAOYSA-N
XLogP4.21
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea with MolForge

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Related Compounds

1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321905
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321868
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2,5-dimethylbenzamide
CID 122321830
1-(4-chlorophenyl)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]cyclopentane-1-carboxamide
CID 122321956
1-(3,4-difluorophenyl)-3-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]urea
CID 122297642
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 122322066
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methoxypyridine-4-carboxamide
CID 122322071
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea (CID 122321903) is 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea is CN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea?
The InChIKey is OIUZPOYCLSSRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c1-27(2)15-10-18(26-22-11-15)23-12-3-5-13(6-4-12)24-19(28)25-14-7-8-16(20)17(21)9-14/h3-11H,1-2H3,(H,23,26)(H2,24,25,28).
What are the key properties of 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea?
1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea has a molecular weight of 384.39 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea is sourced from PubChem (CID 122321903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).