3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine

C23H19N5 — CID 46942779

IUPAC3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cccc5ccccc45)n3n2)nc1
InChIInChI=1S/C23H19N5/c1-2-9-19-17(6-1)7-5-10-20(19)21-16-26-23-12-11-22(27-28(21)23)25-15-13-18-8-3-4-14-24-18/h1-12,14,16H,13,15H2,(H,25,27)
InChIKeyFXDDWVBDBDJXCE-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.60
Rot. Bonds5

About 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine

3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 46942779) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID46942779
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESc1ccc(CCNc2ccc3ncc(-c4cccc5ccccc45)n3n2)nc1
InChIInChI=1S/C23H19N5/c1-2-9-19-17(6-1)7-5-10-20(19)21-16-26-23-12-11-22(27-28(21)23)25-15-13-18-8-3-4-14-24-18/h1-12,14,16H,13,15H2,(H,25,27)
InChIKeyFXDDWVBDBDJXCE-UHFFFAOYSA-N
XLogP4.60
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 46942779) is 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is c1ccc(CCNc2ccc3ncc(-c4cccc5ccccc45)n3n2)nc1.
What is the InChIKey of 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is FXDDWVBDBDJXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-2-9-19-17(6-1)7-5-10-20(19)21-16-26-23-12-11-22(27-28(21)23)25-15-13-18-8-3-4-14-24-18/h1-12,14,16H,13,15H2,(H,25,27).
What are the key properties of 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 365.44 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 46942779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).