N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

C16H18N4O2 — CID 126471713

IUPACN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyCBNXGJOAYVJXJN-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.46
Rot. Bonds6

About N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine

N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126471713) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID126471713
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOCCNc1ccc2ncc(-c3ccccc3OC)n2n1
InChIInChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19)
InChIKeyCBNXGJOAYVJXJN-UHFFFAOYSA-N
XLogP2.46
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Bms-690514
CID 11349170
Taletrectinib
CID 72202474
N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]triazolo[4,5-b]pyridin-6-amine
CID 42602774
7-(2-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 54577892
(2S)-1-[4-[3-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57390669
[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-(4-morpholin-4-yl-phenyl)-amine
CID 57392473
(2S)-1-[4-[2-fluoro-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperazin-1-yl]propan-2-ol
CID 57392475
(2S)-1-[4-[4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]propan-2-ol
CID 57394024

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine (CID 126471713) is N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is COCCNc1ccc2ncc(-c3ccccc3OC)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CBNXGJOAYVJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-21-10-9-17-15-7-8-16-18-11-13(20(16)19-15)12-5-3-4-6-14(12)22-2/h3-8,11H,9-10H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine?
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126471713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).