1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

C22H22FN5O2 — CID 53154129

IUPAC1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22FN5O2/c23-18-6-4-16(5-7-18)15-24-22(29)25-19-3-1-2-17(14-19)20-8-9-21(27-26-20)28-10-12-30-13-11-28/h1-9,14H,10-13,15H2,(H2,24,25,29)
InChIKeyMOUJBIUHAXQZHK-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.44
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea

1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (PubChem CID 53154129) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
PubChem CID53154129
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea
SMILESO=C(NCc1ccc(F)cc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C22H22FN5O2/c23-18-6-4-16(5-7-18)15-24-22(29)25-19-3-1-2-17(14-19)20-8-9-21(27-26-20)28-10-12-30-13-11-28/h1-9,14H,10-13,15H2,(H2,24,25,29)
InChIKeyMOUJBIUHAXQZHK-UHFFFAOYSA-N
XLogP3.44
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea (CID 53154129) is 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is O=C(NCc1ccc(F)cc1)Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
The InChIKey is MOUJBIUHAXQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c23-18-6-4-16(5-7-18)15-24-22(29)25-19-3-1-2-17(14-19)20-8-9-21(27-26-20)28-10-12-30-13-11-28/h1-9,14H,10-13,15H2,(H2,24,25,29).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea?
1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea has a molecular weight of 407.45 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]urea is sourced from PubChem (CID 53154129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).