3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol

C22H18N4O3 — CID 126713767

IUPAC3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol
SMILESOc1cccc([C@@H](O)CNc2ccc3ncc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C22H18N4O3/c27-16-6-3-5-14(10-16)18(28)13-23-21-8-9-22-24-12-17(26(22)25-21)20-11-15-4-1-2-7-19(15)29-20/h1-12,18,27-28H,13H2,(H,23,25)/t18-/m0/s1
InChIKeyKNRRJYREYATAMH-SFHVURJKSA-N
MW386.41 g/mol
LogP3.99
Rot. Bonds5

About 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol

3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol (PubChem CID 126713767) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol
PubChem CID126713767
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol
SMILESOc1cccc([C@@H](O)CNc2ccc3ncc(-c4cc5ccccc5o4)n3n2)c1
InChIInChI=1S/C22H18N4O3/c27-16-6-3-5-14(10-16)18(28)13-23-21-8-9-22-24-12-17(26(22)25-21)20-11-15-4-1-2-7-19(15)29-20/h1-12,18,27-28H,13H2,(H,23,25)/t18-/m0/s1
InChIKeyKNRRJYREYATAMH-SFHVURJKSA-N
XLogP3.99
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol with MolForge

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Related Compounds

(1S)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-phenylethanol
CID 71014853
3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-amine
CID 90317489
N-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-2-(oxan-4-yl)acetamide
CID 130368837
(2S)-1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-amine
CID 129171531
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]propan-1-amine
CID 71077181
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-(ethylamino)ethanol
CID 71077227
N-[(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-2-pyridin-3-ylethyl]acetamide
CID 78322307
1-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxymethyl]cyclobutan-1-amine
CID 71295127
3-(1-benzofuran-2-yl)-6-[[(2S)-pyrrolidin-2-yl]methoxy]imidazo[1,2-b]pyridazine
CID 71744510
1-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyhexan-2-amine
CID 71468696
N-[2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxyethyl]-2-methylbenzamide
CID 90368822
4-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-N,N-diethylpentan-1-amine
CID 24850032

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol?
The IUPAC name of 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol (CID 126713767) is 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol.
What is the SMILES notation for 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol?
The canonical SMILES for 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol is Oc1cccc([C@@H](O)CNc2ccc3ncc(-c4cc5ccccc5o4)n3n2)c1.
What is the InChIKey of 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol?
The InChIKey is KNRRJYREYATAMH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H18N4O3/c27-16-6-3-5-14(10-16)18(28)13-23-21-8-9-22-24-12-17(26(22)25-21)20-11-15-4-1-2-7-19(15)29-20/h1-12,18,27-28H,13H2,(H,23,25)/t18-/m0/s1.
What are the key properties of 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol?
3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol has a molecular weight of 386.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-hydroxyethyl]phenol is sourced from PubChem (CID 126713767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).