2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine

C20H27N5O — CID 137459453

IUPAC2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cn2nccc(-c3ccc(OCC(C)(N)CC(C)C)c(C)n3)c2n1
InChIInChI=1S/C20H27N5O/c1-13(2)10-20(5,21)12-26-18-7-6-17(24-15(18)4)16-8-9-22-25-11-14(3)23-19(16)25/h6-9,11,13H,10,12,21H2,1-5H3
InChIKeyWETHQDJPWSHZNE-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.55
Rot. Bonds6

About 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine

2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine (PubChem CID 137459453) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine
PubChem CID137459453
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine
SMILESCc1cn2nccc(-c3ccc(OCC(C)(N)CC(C)C)c(C)n3)c2n1
InChIInChI=1S/C20H27N5O/c1-13(2)10-20(5,21)12-26-18-7-6-17(24-15(18)4)16-8-9-22-25-11-14(3)23-19(16)25/h6-9,11,13H,10,12,21H2,1-5H3
InChIKeyWETHQDJPWSHZNE-UHFFFAOYSA-N
XLogP3.55
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine?
The IUPAC name of 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine (CID 137459453) is 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine.
What is the SMILES notation for 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine?
The canonical SMILES for 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine is Cc1cn2nccc(-c3ccc(OCC(C)(N)CC(C)C)c(C)n3)c2n1.
What is the InChIKey of 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine?
The InChIKey is WETHQDJPWSHZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13(2)10-20(5,21)12-26-18-7-6-17(24-15(18)4)16-8-9-22-25-11-14(3)23-19(16)25/h6-9,11,13H,10,12,21H2,1-5H3.
What are the key properties of 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine?
2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine has a molecular weight of 353.47 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[[2-methyl-6-(2-methylimidazo[1,2-b]pyridazin-8-yl)-3-pyridinyl]oxy]pentan-2-amine is sourced from PubChem (CID 137459453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).