(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

C17H15FN4O2 — CID 71295164

IUPAC(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESC[C@H](N)COc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1
InChIInChI=1S/C17H15FN4O2/c1-10(19)9-23-17-6-5-16-20-8-13(22(16)21-17)15-7-11-12(18)3-2-4-14(11)24-15/h2-8,10H,9,19H2,1H3/t10-/m0/s1
InChIKeyIETGGGSZABQSKD-JTQLQIEISA-N
MW326.33 g/mol
LogP3.01
Rot. Bonds4

About (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine

(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (PubChem CID 71295164) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.

Molecular Properties

Compound Name(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
PubChem CID71295164
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine
SMILESC[C@H](N)COc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1
InChIInChI=1S/C17H15FN4O2/c1-10(19)9-23-17-6-5-16-20-8-13(22(16)21-17)15-7-11-12(18)3-2-4-14(11)24-15/h2-8,10H,9,19H2,1H3/t10-/m0/s1
InChIKeyIETGGGSZABQSKD-JTQLQIEISA-N
XLogP3.01
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The IUPAC name of (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine (CID 71295164) is (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine.
What is the SMILES notation for (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The canonical SMILES for (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is C[C@H](N)COc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1.
What is the InChIKey of (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
The InChIKey is IETGGGSZABQSKD-JTQLQIEISA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-10(19)9-23-17-6-5-16-20-8-13(22(16)21-17)15-7-11-12(18)3-2-4-14(11)24-15/h2-8,10H,9,19H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine?
(2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine has a molecular weight of 326.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(4-fluoro-1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-2-amine is sourced from PubChem (CID 71295164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).