2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine

C23H19FN4O2 — CID 71295223

IUPAC2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)11-18(13-25)29-23-10-9-22-26-14-19(28(22)27-23)21-12-16-3-1-2-4-20(16)30-21/h1-10,12,14,18H,11,13,25H2
InChIKeyJSBXMSAVGLNZLR-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.23
Rot. Bonds6

About 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine

2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine (PubChem CID 71295223) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
PubChem CID71295223
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine
SMILESNCC(Cc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)11-18(13-25)29-23-10-9-22-26-14-19(28(22)27-23)21-12-16-3-1-2-4-20(16)30-21/h1-10,12,14,18H,11,13,25H2
InChIKeyJSBXMSAVGLNZLR-UHFFFAOYSA-N
XLogP4.23
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 23647339
CID 23647339
CID 23647340
CID 23647340
CID 23647330
CID 23647330
CID 11646269
CID 11646269
CID 18406903
CID 18406903
CID 21874661
CID 21874661
CID 44403132
CID 44403132
CID 23647333
CID 23647333
CID 23647334
CID 23647334
CID 23647336
CID 23647336
CID 23647342
CID 23647342
CID 118288256
CID 118288256

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine (CID 71295223) is 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine is NCC(Cc1ccc(F)cc1)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is JSBXMSAVGLNZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-17-7-5-15(6-8-17)11-18(13-25)29-23-10-9-22-26-14-19(28(22)27-23)21-12-16-3-1-2-4-20(16)30-21/h1-10,12,14,18H,11,13,25H2.
What are the key properties of 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine?
2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 402.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxy-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 71295223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).