2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol

C25H21FN4O2 — CID 71077200

IUPAC2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CN(c1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C25H21FN4O2/c26-18-7-5-16(6-8-18)21(31)15-29(19-9-10-19)25-12-11-24-27-14-20(30(24)28-25)23-13-17-3-1-2-4-22(17)32-23/h1-8,11-14,19,21,31H,9-10,15H2
InChIKeyHFKIIAOXQZOFPD-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.98
Rot. Bonds6

About 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol

2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol (PubChem CID 71077200) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol
PubChem CID71077200
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol
SMILESOC(CN(c1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CC1)c1ccc(F)cc1
InChIInChI=1S/C25H21FN4O2/c26-18-7-5-16(6-8-18)21(31)15-29(19-9-10-19)25-12-11-24-27-14-20(30(24)28-25)23-13-17-3-1-2-4-22(17)32-23/h1-8,11-14,19,21,31H,9-10,15H2
InChIKeyHFKIIAOXQZOFPD-UHFFFAOYSA-N
XLogP4.98
TPSA66.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol?
The IUPAC name of 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol (CID 71077200) is 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol is OC(CN(c1ccc2ncc(-c3cc4ccccc4o3)n2n1)C1CC1)c1ccc(F)cc1.
What is the InChIKey of 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol?
The InChIKey is HFKIIAOXQZOFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-18-7-5-16(6-8-18)21(31)15-29(19-9-10-19)25-12-11-24-27-14-20(30(24)28-25)23-13-17-3-1-2-4-22(17)32-23/h1-8,11-14,19,21,31H,9-10,15H2.
What are the key properties of 2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol?
2-[[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]-cyclopropylamino]-1-(4-fluorophenyl)ethanol has a molecular weight of 428.47 g/mol, XLogP of 4.98, 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]-cyclopropylamino]-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 71077200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).