[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol

C20H20N4O2 — CID 71491873

IUPAC[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C20H20N4O2/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2
InChIKeyXICDPEVHSJGMHQ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.35
Rot. Bonds3

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

[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol (PubChem CID 71491873) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
PubChem CID71491873
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C20H20N4O2/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2
InChIKeyXICDPEVHSJGMHQ-UHFFFAOYSA-N
XLogP3.35
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.35
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]piperidin-3-yl]methanol?
The IUPAC name of [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol (CID 71491873) is [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol is OCC1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1.
What is the InChIKey of [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
The InChIKey is XICDPEVHSJGMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2.
What are the key properties of [1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol?
[1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-yl]methanol has a molecular weight of 348.41 g/mol, XLogP of 3.35, 3 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]piperidin-3-yl]methanol is sourced from PubChem (CID 71491873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).