3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

C20H15N5O — CID 58857759

IUPAC3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2oc(-c3cnc4ccc(NCc5ccncc5)nn34)cc2c1
InChIInChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24)
InChIKeyAJBOLFIHFBPBBR-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.15
Rot. Bonds4

About 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine

3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857759) has the molecular formula C20H15N5O and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857759
Molecular FormulaC20H15N5O
Molecular Weight341.37 g/mol
Exact Mass341.13
IUPAC Name3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc2oc(-c3cnc4ccc(NCc5ccncc5)nn34)cc2c1
InChIInChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24)
InChIKeyAJBOLFIHFBPBBR-UHFFFAOYSA-N
XLogP4.15
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857759) is 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is c1ccc2oc(-c3cnc4ccc(NCc5ccncc5)nn34)cc2c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is AJBOLFIHFBPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 341.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).