1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine

C19H22FN5O — CID 163278408

IUPAC1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2cc(C(C)NCC)ncc2F)nn2ccnc12
InChIInChI=1S/C19H22FN5O/c1-4-6-9-26-18-11-17(24-25-8-7-22-19(18)25)14-10-16(13(3)21-5-2)23-12-15(14)20/h4,7-8,10-13,21H,1,5-6,9H2,2-3H3
InChIKeyPUIVGGLWKHKEPF-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.56
Rot. Bonds8

About 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine

1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine (PubChem CID 163278408) has the molecular formula C19H22FN5O and a molecular weight of 355.42 g/mol. Its IUPAC name is 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine.

Molecular Properties

Compound Name1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine
PubChem CID163278408
Molecular FormulaC19H22FN5O
Molecular Weight355.42 g/mol
Exact Mass355.18
IUPAC Name1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine
SMILESC=CCCOc1cc(-c2cc(C(C)NCC)ncc2F)nn2ccnc12
InChIInChI=1S/C19H22FN5O/c1-4-6-9-26-18-11-17(24-25-8-7-22-19(18)25)14-10-16(13(3)21-5-2)23-12-15(14)20/h4,7-8,10-13,21H,1,5-6,9H2,2-3H3
InChIKeyPUIVGGLWKHKEPF-UHFFFAOYSA-N
XLogP3.56
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine?
The IUPAC name of 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine (CID 163278408) is 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine.
What is the SMILES notation for 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine?
The canonical SMILES for 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine is C=CCCOc1cc(-c2cc(C(C)NCC)ncc2F)nn2ccnc12.
What is the InChIKey of 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine?
The InChIKey is PUIVGGLWKHKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O/c1-4-6-9-26-18-11-17(24-25-8-7-22-19(18)25)14-10-16(13(3)21-5-2)23-12-15(14)20/h4,7-8,10-13,21H,1,5-6,9H2,2-3H3.
What are the key properties of 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine?
1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine has a molecular weight of 355.42 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-but-3-enoxyimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-2-pyridinyl]-N-ethylethanamine is sourced from PubChem (CID 163278408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).