6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid

C18H17FN4O3 — CID 167024611

IUPAC6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCC1Cc2cc(F)cc(C(C)Nc3ccc4ncc(C(=O)O)n4n3)c2O1
InChIInChI=1S/C18H17FN4O3/c1-9-5-11-6-12(19)7-13(17(11)26-9)10(2)21-15-3-4-16-20-8-14(18(24)25)23(16)22-15/h3-4,6-10H,5H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyMTMJFDXLXYQFQF-UHFFFAOYSA-N
MW356.36 g/mol
LogP3.06
Rot. Bonds4

About 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid

6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid (PubChem CID 167024611) has the molecular formula C18H17FN4O3 and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid
PubChem CID167024611
Molecular FormulaC18H17FN4O3
Molecular Weight356.36 g/mol
Exact Mass356.13
IUPAC Name6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid
SMILESCC1Cc2cc(F)cc(C(C)Nc3ccc4ncc(C(=O)O)n4n3)c2O1
InChIInChI=1S/C18H17FN4O3/c1-9-5-11-6-12(19)7-13(17(11)26-9)10(2)21-15-3-4-16-20-8-14(18(24)25)23(16)22-15/h3-4,6-10H,5H2,1-2H3,(H,21,22)(H,24,25)
InChIKeyMTMJFDXLXYQFQF-UHFFFAOYSA-N
XLogP3.06
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid 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 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid (CID 167024611) is 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid is CC1Cc2cc(F)cc(C(C)Nc3ccc4ncc(C(=O)O)n4n3)c2O1.
What is the InChIKey of 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid?
The InChIKey is MTMJFDXLXYQFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3/c1-9-5-11-6-12(19)7-13(17(11)26-9)10(2)21-15-3-4-16-20-8-14(18(24)25)23(16)22-15/h3-4,6-10H,5H2,1-2H3,(H,21,22)(H,24,25).
What are the key properties of 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid?
6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid has a molecular weight of 356.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-fluoro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethylamino]imidazo[1,2-b]pyridazine-3-carboxylic acid is sourced from PubChem (CID 167024611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).