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

C19H18N4O2 — CID 71491872

IUPAC(3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C19H18N4O2/c24-14-5-3-9-22(12-14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1
InChIKeyYPPAZEQBNIORQB-CQSZACIVSA-N
MW334.38 g/mol
LogP3.10
Rot. Bonds2

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

(3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol (PubChem CID 71491872) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol
PubChem CID71491872
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol
SMILESO[C@@H]1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1
InChIInChI=1S/C19H18N4O2/c24-14-5-3-9-22(12-14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1
InChIKeyYPPAZEQBNIORQB-CQSZACIVSA-N
XLogP3.10
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol?
The IUPAC name of (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol (CID 71491872) is (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol is O[C@@H]1CCCN(c2ccc3ncc(-c4cc5ccccc5o4)n3n2)C1.
What is the InChIKey of (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol?
The InChIKey is YPPAZEQBNIORQB-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18N4O2/c24-14-5-3-9-22(12-14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1.
What are the key properties of (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol?
(3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol has a molecular weight of 334.38 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-ol is sourced from PubChem (CID 71491872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).