4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

C20H16N6 — CID 44530404

IUPAC4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1
InChIInChI=1S/C20H16N6/c21-12-15-3-5-17(6-4-15)18-14-24-20-8-7-19(25-26(18)20)23-11-9-16-2-1-10-22-13-16/h1-8,10,13-14H,9,11H2,(H,23,25)
InChIKeyUCMWHGMHOSHUOB-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.32
Rot. Bonds5

About 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile

4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (PubChem CID 44530404) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
PubChem CID44530404
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
SMILESN#Cc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1
InChIInChI=1S/C20H16N6/c21-12-15-3-5-17(6-4-15)18-14-24-20-8-7-19(25-26(18)20)23-11-9-16-2-1-10-22-13-16/h1-8,10,13-14H,9,11H2,(H,23,25)
InChIKeyUCMWHGMHOSHUOB-UHFFFAOYSA-N
XLogP3.32
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The IUPAC name of 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile (CID 44530404) is 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile.
What is the SMILES notation for 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The canonical SMILES for 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is N#Cc1ccc(-c2cnc3ccc(NCCc4cccnc4)nn23)cc1.
What is the InChIKey of 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
The InChIKey is UCMWHGMHOSHUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-12-15-3-5-17(6-4-15)18-14-24-20-8-7-19(25-26(18)20)23-11-9-16-2-1-10-22-13-16/h1-8,10,13-14H,9,11H2,(H,23,25).
What are the key properties of 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile?
4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile has a molecular weight of 340.39 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-pyridin-3-ylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile is sourced from PubChem (CID 44530404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).