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

C22H20F3N5O2 — CID 43991972

IUPAC1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)17-6-1-2-7-19(17)27-21(31)26-16-5-3-4-15(14-16)18-8-9-20(29-28-18)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,27,31)
InChIKeyRSZOBUDTBLYKNZ-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.64
Rot. Bonds4

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

1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 43991972) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID43991972
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)17-6-1-2-7-19(17)27-21(31)26-16-5-3-4-15(14-16)18-8-9-20(29-28-18)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,27,31)
InChIKeyRSZOBUDTBLYKNZ-UHFFFAOYSA-N
XLogP4.64
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991973
1-(2-ethylphenyl)-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
CID 43991969
1-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 43992565
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
1-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 43992106
(2S)-2-(2-fluorophenoxy)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]propanamide
CID 42109873
2-(4-fluorophenyl)-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 7422439
4-chloro-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422461
1-(2-methylphenyl)-3-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]urea
CID 43991572
1-(2-methoxyphenyl)-3-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991819

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 43991972) is 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is RSZOBUDTBLYKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)17-6-1-2-7-19(17)27-21(31)26-16-5-3-4-15(14-16)18-8-9-20(29-28-18)30-10-12-32-13-11-30/h1-9,14H,10-13H2,(H2,26,27,31).
What are the key properties of 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 443.43 g/mol, XLogP of 4.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 43991972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).