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

C17H16N4O2 — CID 71468412

IUPAC(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine
SMILESC[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C17H16N4O2/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-8,10-11H,9,18H2,1H3/t11-/m1/s1
InChIKeyCMDIADSAZCFCCT-LLVKDONJSA-N
MW308.34 g/mol
LogP2.87
Rot. Bonds4

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

(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine (PubChem CID 71468412) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine.

Molecular Properties

Compound Name(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine
PubChem CID71468412
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine
SMILESC[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1
InChIInChI=1S/C17H16N4O2/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-8,10-11H,9,18H2,1H3/t11-/m1/s1
InChIKeyCMDIADSAZCFCCT-LLVKDONJSA-N
XLogP2.87
TPSA78.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine?
The IUPAC name of (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine (CID 71468412) is (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine.
What is the SMILES notation for (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine?
The canonical SMILES for (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine is C[C@H](CN)Oc1ccc2ncc(-c3cc4ccccc4o3)n2n1.
What is the InChIKey of (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine?
The InChIKey is CMDIADSAZCFCCT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(9-18)22-17-7-6-16-19-10-13(21(16)20-17)15-8-12-4-2-3-5-14(12)23-15/h2-8,10-11H,9,18H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine?
(2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine has a molecular weight of 308.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(1-benzofuran-2-yl)imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-amine is sourced from PubChem (CID 71468412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).