(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine

C20H26N4O — CID 135390366

IUPAC(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc3cccnn23)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-8-7-16(10-15(18)3)17-12-22-19-6-5-9-23-24(17)19/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1
InChIKeyFJSLWMPTBQKJHB-FQEVSTJZSA-N
MW338.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine

(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine (PubChem CID 135390366) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine
PubChem CID135390366
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine
SMILESCc1cc(-c2cnc3cccnn23)ccc1OC[C@@](C)(N)CC(C)C
InChIInChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-8-7-16(10-15(18)3)17-12-22-19-6-5-9-23-24(17)19/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1
InChIKeyFJSLWMPTBQKJHB-FQEVSTJZSA-N
XLogP3.85
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine with MolForge

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Related Compounds

Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
Methyl substituted pyrazole, 27
CID 23648674
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
CID 23648644
Methyl substituted pyrazole, 28
CID 23648676
7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 126648929
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(3-morpholin-4-yl-phenyl)-amine
CID 57399415

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine?
The IUPAC name of (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine (CID 135390366) is (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine.
What is the SMILES notation for (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine?
The canonical SMILES for (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine is Cc1cc(-c2cnc3cccnn23)ccc1OC[C@@](C)(N)CC(C)C.
What is the InChIKey of (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine?
The InChIKey is FJSLWMPTBQKJHB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)11-20(4,21)13-25-18-8-7-16(10-15(18)3)17-12-22-19-6-5-9-23-24(17)19/h5-10,12,14H,11,13,21H2,1-4H3/t20-/m0/s1.
What are the key properties of (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine?
(2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine has a molecular weight of 338.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-imidazo[1,2-b]pyridazin-3-yl-2-methylphenoxy)-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 135390366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).