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

C19H13FN4O2 — CID 134805696

IUPACN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESFc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cc1
InChIInChI=1S/C19H13FN4O2/c20-13-3-1-12(2-4-13)15-6-8-18-21-10-19(24(18)23-15)22-14-5-7-16-17(9-14)26-11-25-16/h1-10,22H,11H2
InChIKeyNRKIOWJDXQDPIY-UHFFFAOYSA-N
MW348.34 g/mol
LogP4.01
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (PubChem CID 134805696) has the molecular formula C19H13FN4O2 and a molecular weight of 348.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
PubChem CID134805696
Molecular FormulaC19H13FN4O2
Molecular Weight348.34 g/mol
Exact Mass348.10
IUPAC NameN-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine
SMILESFc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cc1
InChIInChI=1S/C19H13FN4O2/c20-13-3-1-12(2-4-13)15-6-8-18-21-10-19(24(18)23-15)22-14-5-7-16-17(9-14)26-11-25-16/h1-10,22H,11H2
InChIKeyNRKIOWJDXQDPIY-UHFFFAOYSA-N
XLogP4.01
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine (CID 134805696) is N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is Fc1ccc(-c2ccc3ncc(Nc4ccc5c(c4)OCO5)n3n2)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
The InChIKey is NRKIOWJDXQDPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O2/c20-13-3-1-12(2-4-13)15-6-8-18-21-10-19(24(18)23-15)22-14-5-7-16-17(9-14)26-11-25-16/h1-10,22H,11H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine?
N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine has a molecular weight of 348.34 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-amine is sourced from PubChem (CID 134805696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).