1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol

C17H14N4O2 — CID 71144746

IUPAC1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol
SMILESOC1CN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2
InChIKeyPDXOUQHDCBQOGR-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.32
Rot. Bonds2

About 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol

1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol (PubChem CID 71144746) has the molecular formula C17H14N4O2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol
PubChem CID71144746
Molecular FormulaC17H14N4O2
Molecular Weight306.32 g/mol
Exact Mass306.11
IUPAC Name1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol
SMILESOC1CN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2
InChIKeyPDXOUQHDCBQOGR-UHFFFAOYSA-N
XLogP2.32
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol?
The IUPAC name of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol (CID 71144746) is 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol.
What is the SMILES notation for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol?
The canonical SMILES for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol is OC1CN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1.
What is the InChIKey of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol?
The InChIKey is PDXOUQHDCBQOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2.
What are the key properties of 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol?
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol has a molecular weight of 306.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]azetidin-3-ol is sourced from PubChem (CID 71144746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).