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

C19H19FN6O — CID 122321847

IUPAC1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C19H19FN6O/c1-26(2)17-11-18(25-21-12-17)22-14-7-9-16(10-8-14)24-19(27)23-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,25)(H2,23,24,27)
InChIKeyUDRCJLCPSLDJEP-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.07
Rot. Bonds5

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

1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea (PubChem CID 122321847) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
PubChem CID122321847
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
SMILESCN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C19H19FN6O/c1-26(2)17-11-18(25-21-12-17)22-14-7-9-16(10-8-14)24-19(27)23-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,25)(H2,23,24,27)
InChIKeyUDRCJLCPSLDJEP-UHFFFAOYSA-N
XLogP4.07
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321903
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]urea
CID 122321905
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(3-methylsulfanylphenyl)urea
CID 122321908
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
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
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
(E)-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 122322027
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-thiophen-2-ylbenzamide
CID 122322025

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea (CID 122321847) is 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea is CN(C)c1cnnc(Nc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea?
The InChIKey is UDRCJLCPSLDJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-26(2)17-11-18(25-21-12-17)22-14-7-9-16(10-8-14)24-19(27)23-15-5-3-13(20)4-6-15/h3-12H,1-2H3,(H,22,25)(H2,23,24,27).
What are the key properties of 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea?
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea has a molecular weight of 366.40 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 122321847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).