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

C19H16FN5 — CID 58857924

IUPAC3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1
InChIInChI=1S/C19H16FN5/c20-16-5-1-4-15(11-16)17-13-23-19-7-6-18(24-25(17)19)22-10-8-14-3-2-9-21-12-14/h1-7,9,11-13H,8,10H2,(H,22,24)
InChIKeyPNKNZWACOGPCLE-UHFFFAOYSA-N
MW333.37 g/mol
LogP3.59
Rot. Bonds5

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

3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857924) has the molecular formula C19H16FN5 and a molecular weight of 333.37 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857924
Molecular FormulaC19H16FN5
Molecular Weight333.37 g/mol
Exact Mass333.14
IUPAC Name3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine
SMILESFc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1
InChIInChI=1S/C19H16FN5/c20-16-5-1-4-15(11-16)17-13-23-19-7-6-18(24-25(17)19)22-10-8-14-3-2-9-21-12-14/h1-7,9,11-13H,8,10H2,(H,22,24)
InChIKeyPNKNZWACOGPCLE-UHFFFAOYSA-N
XLogP3.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine (CID 58857924) is 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine is Fc1cccc(-c2cnc3ccc(NCCc4cccnc4)nn23)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PNKNZWACOGPCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5/c20-16-5-1-4-15(11-16)17-13-23-19-7-6-18(24-25(17)19)22-10-8-14-3-2-9-21-12-14/h1-7,9,11-13H,8,10H2,(H,22,24).
What are the key properties of 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 333.37 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).