3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine

C20H19N5O2 — CID 52932517

IUPAC3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2c(C)nc3c(-c4ccncc4)ccnn23)cn1
InChIInChI=1S/C20H19N5O2/c1-14-19(16-3-4-18(22-13-16)27-12-11-26-2)25-20(24-14)17(7-10-23-25)15-5-8-21-9-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyYGJXEAMJZBLXSW-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.19
Rot. Bonds6

About 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine

3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 52932517) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID52932517
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc(-c2c(C)nc3c(-c4ccncc4)ccnn23)cn1
InChIInChI=1S/C20H19N5O2/c1-14-19(16-3-4-18(22-13-16)27-12-11-26-2)25-20(24-14)17(7-10-23-25)15-5-8-21-9-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyYGJXEAMJZBLXSW-UHFFFAOYSA-N
XLogP3.19
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 52932517) is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine is COCCOc1ccc(-c2c(C)nc3c(-c4ccncc4)ccnn23)cn1.
What is the InChIKey of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is YGJXEAMJZBLXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-14-19(16-3-4-18(22-13-16)27-12-11-26-2)25-20(24-14)17(7-10-23-25)15-5-8-21-9-6-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine?
3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 361.41 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methyl-8-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 52932517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).