N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine

C17H11ClFN5 — CID 134807256

IUPACN-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESFc1ccc(-c2ccc3ncc(Nc4ccc(Cl)cn4)n3n2)cc1
InChIInChI=1S/C17H11ClFN5/c18-12-3-7-15(20-9-12)22-17-10-21-16-8-6-14(23-24(16)17)11-1-4-13(19)5-2-11/h1-10H,(H,20,22)
InChIKeyXNQCGXGYLWPJKU-UHFFFAOYSA-N
MW339.76 g/mol
LogP4.33
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine

N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134807256) has the molecular formula C17H11ClFN5 and a molecular weight of 339.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134807256
Molecular FormulaC17H11ClFN5
Molecular Weight339.76 g/mol
Exact Mass339.07
IUPAC NameN-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESFc1ccc(-c2ccc3ncc(Nc4ccc(Cl)cn4)n3n2)cc1
InChIInChI=1S/C17H11ClFN5/c18-12-3-7-15(20-9-12)22-17-10-21-16-8-6-14(23-24(16)17)11-1-4-13(19)5-2-11/h1-10H,(H,20,22)
InChIKeyXNQCGXGYLWPJKU-UHFFFAOYSA-N
XLogP4.33
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134807256) is N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is Fc1ccc(-c2ccc3ncc(Nc4ccc(Cl)cn4)n3n2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is XNQCGXGYLWPJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5/c18-12-3-7-15(20-9-12)22-17-10-21-16-8-6-14(23-24(16)17)11-1-4-13(19)5-2-11/h1-10H,(H,20,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 339.76 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134807256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).