1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea

C18H15F2N5O2 — CID 42142953

IUPAC1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N5O2/c19-13-3-4-16(14(20)10-13)23-18(27)22-8-9-25-17(26)6-5-15(24-25)12-2-1-7-21-11-12/h1-7,10-11H,8-9H2,(H2,22,23,27)
InChIKeyDFTMPXHVKBQVJI-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.41
Rot. Bonds5

About 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea

1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea (PubChem CID 42142953) has the molecular formula C18H15F2N5O2 and a molecular weight of 371.35 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
PubChem CID42142953
Molecular FormulaC18H15F2N5O2
Molecular Weight371.35 g/mol
Exact Mass371.12
IUPAC Name1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea
SMILESO=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H15F2N5O2/c19-13-3-4-16(14(20)10-13)23-18(27)22-8-9-25-17(26)6-5-15(24-25)12-2-1-7-21-11-12/h1-7,10-11H,8-9H2,(H2,22,23,27)
InChIKeyDFTMPXHVKBQVJI-UHFFFAOYSA-N
XLogP2.41
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The IUPAC name of 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea (CID 42142953) is 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea is O=C(NCCn1nc(-c2cccnc2)ccc1=O)Nc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
The InChIKey is DFTMPXHVKBQVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2/c19-13-3-4-16(14(20)10-13)23-18(27)22-8-9-25-17(26)6-5-15(24-25)12-2-1-7-21-11-12/h1-7,10-11H,8-9H2,(H2,22,23,27).
What are the key properties of 1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea?
1-(2,4-difluorophenyl)-3-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea has a molecular weight of 371.35 g/mol, XLogP of 2.41, 5 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-[2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)ethyl]urea is sourced from PubChem (CID 42142953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).