3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine

C17H12ClFN4O — CID 138457223

IUPAC3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
SMILESFc1cc(-c2c(NCc3ccco3)nc3cccnn23)ccc1Cl
InChIInChI=1S/C17H12ClFN4O/c18-13-6-5-11(9-14(13)19)16-17(20-10-12-3-2-8-24-12)22-15-4-1-7-21-23(15)16/h1-9,20H,10H2
InChIKeyQADWQKBGZNVOOG-UHFFFAOYSA-N
MW342.76 g/mol
LogP4.39
Rot. Bonds4

About 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine

3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine (PubChem CID 138457223) has the molecular formula C17H12ClFN4O and a molecular weight of 342.76 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
PubChem CID138457223
Molecular FormulaC17H12ClFN4O
Molecular Weight342.76 g/mol
Exact Mass342.07
IUPAC Name3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine
SMILESFc1cc(-c2c(NCc3ccco3)nc3cccnn23)ccc1Cl
InChIInChI=1S/C17H12ClFN4O/c18-13-6-5-11(9-14(13)19)16-17(20-10-12-3-2-8-24-12)22-15-4-1-7-21-23(15)16/h1-9,20H,10H2
InChIKeyQADWQKBGZNVOOG-UHFFFAOYSA-N
XLogP4.39
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.76
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine (CID 138457223) is 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine is Fc1cc(-c2c(NCc3ccco3)nc3cccnn23)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
The InChIKey is QADWQKBGZNVOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN4O/c18-13-6-5-11(9-14(13)19)16-17(20-10-12-3-2-8-24-12)22-15-4-1-7-21-23(15)16/h1-9,20H,10H2.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine?
3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine has a molecular weight of 342.76 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-N-(furan-2-ylmethyl)imidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 138457223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).