(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol

C18H21N5O — CID 124852286

IUPAC(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol
SMILESO[C@@H](CN1CCN(c2ccc3nccn3n2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O/c24-16(15-4-2-1-3-5-15)14-21-10-12-22(13-11-21)18-7-6-17-19-8-9-23(17)20-18/h1-9,16,24H,10-14H2/t16-/m0/s1
InChIKeyUOANNPSZMYKDHX-INIZCTEOSA-N
MW323.40 g/mol
LogP1.58
Rot. Bonds4

About (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol

(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol (PubChem CID 124852286) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol
PubChem CID124852286
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol
SMILESO[C@@H](CN1CCN(c2ccc3nccn3n2)CC1)c1ccccc1
InChIInChI=1S/C18H21N5O/c24-16(15-4-2-1-3-5-15)14-21-10-12-22(13-11-21)18-7-6-17-19-8-9-23(17)20-18/h1-9,16,24H,10-14H2/t16-/m0/s1
InChIKeyUOANNPSZMYKDHX-INIZCTEOSA-N
XLogP1.58
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310574
6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 56778681
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204
(1R)-1-(4-ethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanol
CID 95104663
(1R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-1-phenylethanol
CID 2101809
6-[4-[[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 97284140
1-phenyl-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanol
CID 111462476
6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 134310576
2-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylethanol
CID 3044988

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol?
The IUPAC name of (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol (CID 124852286) is (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol.
What is the SMILES notation for (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol?
The canonical SMILES for (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol is O[C@@H](CN1CCN(c2ccc3nccn3n2)CC1)c1ccccc1.
What is the InChIKey of (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol?
The InChIKey is UOANNPSZMYKDHX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21N5O/c24-16(15-4-2-1-3-5-15)14-21-10-12-22(13-11-21)18-7-6-17-19-8-9-23(17)20-18/h1-9,16,24H,10-14H2/t16-/m0/s1.
What are the key properties of (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol?
(1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol has a molecular weight of 323.40 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-1-phenylethanol is sourced from PubChem (CID 124852286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).