1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

C21H19F2N5O2 — CID 43992816

IUPAC1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H19F2N5O2/c22-15-3-6-19(17(23)13-15)25-21(29)24-16-4-1-14(2-5-16)18-7-8-20(27-26-18)28-9-11-30-12-10-28/h1-8,13H,9-12H2,(H2,24,25,29)
InChIKeyRJWDBMCFNWIKJG-UHFFFAOYSA-N
MW411.41 g/mol
LogP3.90
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (PubChem CID 43992816) has the molecular formula C21H19F2N5O2 and a molecular weight of 411.41 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
PubChem CID43992816
Molecular FormulaC21H19F2N5O2
Molecular Weight411.41 g/mol
Exact Mass411.15
IUPAC Name1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)Nc1ccc(F)cc1F
InChIInChI=1S/C21H19F2N5O2/c22-15-3-6-19(17(23)13-15)25-21(29)24-16-4-1-14(2-5-16)18-7-8-20(27-26-18)28-9-11-30-12-10-28/h1-8,13H,9-12H2,(H2,24,25,29)
InChIKeyRJWDBMCFNWIKJG-UHFFFAOYSA-N
XLogP3.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-difluoro-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7593337
1-(2,5-difluorophenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991730
1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43991972
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992699
1-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(2,5-dichlorophenyl)urea
CID 43992316
1-(2-chlorophenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991973
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
2-(2-methoxyphenyl)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992796
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (CID 43992816) is 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is RJWDBMCFNWIKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O2/c22-15-3-6-19(17(23)13-15)25-21(29)24-16-4-1-14(2-5-16)18-7-8-20(27-26-18)28-9-11-30-12-10-28/h1-8,13H,9-12H2,(H2,24,25,29).
What are the key properties of 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 411.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 43992816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).