1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea

C18H16FN5O2 — CID 42142979

IUPAC1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN5O2/c19-14-4-1-5-15(11-14)22-18(26)21-9-10-24-17(25)7-6-16(23-24)13-3-2-8-20-12-13/h1-8,11-12H,9-10H2,(H2,21,22,26)
InChIKeyIDOYBGQQEWSYIT-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.27
Rot. Bonds5

About 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea

1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea (PubChem CID 42142979) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
PubChem CID42142979
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cccc(F)c1
InChIInChI=1S/C18H16FN5O2/c19-14-4-1-5-15(11-14)22-18(26)21-9-10-24-17(25)7-6-16(23-24)13-3-2-8-20-12-13/h1-8,11-12H,9-10H2,(H2,21,22,26)
InChIKeyIDOYBGQQEWSYIT-UHFFFAOYSA-N
XLogP2.27
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea (CID 42142979) is 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea is O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The InChIKey is IDOYBGQQEWSYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-14-4-1-5-15(11-14)22-18(26)21-9-10-24-17(25)7-6-16(23-24)13-3-2-8-20-12-13/h1-8,11-12H,9-10H2,(H2,21,22,26).
What are the key properties of 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea has a molecular weight of 353.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 42142979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).