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

C19H16ClN5 — CID 6419826

IUPAC3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCCc4ccccn4)nn23)c1
InChIInChI=1S/C19H16ClN5/c20-15-5-3-4-14(12-15)17-13-23-19-8-7-18(24-25(17)19)22-11-9-16-6-1-2-10-21-16/h1-8,10,12-13H,9,11H2,(H,22,24)
InChIKeyVWHUGDIGTGOTHL-UHFFFAOYSA-N
MW349.83 g/mol
LogP4.10
Rot. Bonds5

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

3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 6419826) has the molecular formula C19H16ClN5 and a molecular weight of 349.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID6419826
Molecular FormulaC19H16ClN5
Molecular Weight349.83 g/mol
Exact Mass349.11
IUPAC Name3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1cccc(-c2cnc3ccc(NCCc4ccccn4)nn23)c1
InChIInChI=1S/C19H16ClN5/c20-15-5-3-4-14(12-15)17-13-23-19-8-7-18(24-25(17)19)22-11-9-16-6-1-2-10-21-16/h1-8,10,12-13H,9,11H2,(H,22,24)
InChIKeyVWHUGDIGTGOTHL-UHFFFAOYSA-N
XLogP4.10
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.83
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 6419826) is 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is Clc1cccc(-c2cnc3ccc(NCCc4ccccn4)nn23)c1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VWHUGDIGTGOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5/c20-15-5-3-4-14(12-15)17-13-23-19-8-7-18(24-25(17)19)22-11-9-16-6-1-2-10-21-16/h1-8,10,12-13H,9,11H2,(H,22,24).
What are the key properties of 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 349.83 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 6419826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).