1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

C14H14N6O2 — CID 58243277

IUPAC1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(-c3cncc(OC)c3)ccc2n1
InChIInChI=1S/C14H14N6O2/c1-15-14(21)18-12-8-20-13(17-12)4-3-11(19-20)9-5-10(22-2)7-16-6-9/h3-8H,1-2H3,(H2,15,18,21)
InChIKeyIPONHPIKYVOGQC-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.55
Rot. Bonds3

About 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea

1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (PubChem CID 58243277) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
PubChem CID58243277
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1cn2nc(-c3cncc(OC)c3)ccc2n1
InChIInChI=1S/C14H14N6O2/c1-15-14(21)18-12-8-20-13(17-12)4-3-11(19-20)9-5-10(22-2)7-16-6-9/h3-8H,1-2H3,(H2,15,18,21)
InChIKeyIPONHPIKYVOGQC-UHFFFAOYSA-N
XLogP1.55
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The IUPAC name of 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea (CID 58243277) is 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The canonical SMILES for 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is CNC(=O)Nc1cn2nc(-c3cncc(OC)c3)ccc2n1.
What is the InChIKey of 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
The InChIKey is IPONHPIKYVOGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-15-14(21)18-12-8-20-13(17-12)4-3-11(19-20)9-5-10(22-2)7-16-6-9/h3-8H,1-2H3,(H2,15,18,21).
What are the key properties of 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea?
1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea has a molecular weight of 298.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea is sourced from PubChem (CID 58243277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).