1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

C14H12FN5O — CID 58243292

IUPAC1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(-c3cccc(F)c3)ccc2n1
InChIInChI=1S/C14H12FN5O/c1-16-14(21)18-12-8-20-13(17-12)6-5-11(19-20)9-3-2-4-10(15)7-9/h2-8H,1H3,(H2,16,18,21)
InChIKeyUBIPMXABECIYJS-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.29
Rot. Bonds2

About 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (PubChem CID 58243292) has the molecular formula C14H12FN5O and a molecular weight of 285.28 g/mol. Its IUPAC name is 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
PubChem CID58243292
Molecular FormulaC14H12FN5O
Molecular Weight285.28 g/mol
Exact Mass285.10
IUPAC Name1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(-c3cccc(F)c3)ccc2n1
InChIInChI=1S/C14H12FN5O/c1-16-14(21)18-12-8-20-13(17-12)6-5-11(19-20)9-3-2-4-10(15)7-9/h2-8H,1H3,(H2,16,18,21)
InChIKeyUBIPMXABECIYJS-UHFFFAOYSA-N
XLogP2.29
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (CID 58243292) is 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is CNC(=O)Nc1cn2nc(-c3cccc(F)c3)ccc2n1.
What is the InChIKey of 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The InChIKey is UBIPMXABECIYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O/c1-16-14(21)18-12-8-20-13(17-12)6-5-11(19-20)9-3-2-4-10(15)7-9/h2-8H,1H3,(H2,16,18,21).
What are the key properties of 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea has a molecular weight of 285.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is sourced from PubChem (CID 58243292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).