2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone

C25H17FN8O — CID 146928238

IUPAC2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone
SMILESNc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(CC(=O)c5ccncc5)cn4n3)n2n1
InChIInChI=1S/C25H17FN8O/c26-17-3-1-16(2-4-17)24-25(34-23(30-24)8-6-21(27)32-34)19-5-7-22-29-18(14-33(22)31-19)13-20(35)15-9-11-28-12-10-15/h1-12,14H,13H2,(H2,27,32)
InChIKeyAEMIQCWNCUSSMS-UHFFFAOYSA-N
MW464.46 g/mol
LogP3.65
Rot. Bonds5

About 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone

2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone (PubChem CID 146928238) has the molecular formula C25H17FN8O and a molecular weight of 464.46 g/mol. Its IUPAC name is 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone.

Molecular Properties

Compound Name2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone
PubChem CID146928238
Molecular FormulaC25H17FN8O
Molecular Weight464.46 g/mol
Exact Mass464.15
IUPAC Name2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone
SMILESNc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(CC(=O)c5ccncc5)cn4n3)n2n1
InChIInChI=1S/C25H17FN8O/c26-17-3-1-16(2-4-17)24-25(34-23(30-24)8-6-21(27)32-34)19-5-7-22-29-18(14-33(22)31-19)13-20(35)15-9-11-28-12-10-15/h1-12,14H,13H2,(H2,27,32)
InChIKeyAEMIQCWNCUSSMS-UHFFFAOYSA-N
XLogP3.65
TPSA116.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone?
The IUPAC name of 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone (CID 146928238) is 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone.
What is the SMILES notation for 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone?
The canonical SMILES for 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone is Nc1ccc2nc(-c3ccc(F)cc3)c(-c3ccc4nc(CC(=O)c5ccncc5)cn4n3)n2n1.
What is the InChIKey of 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone?
The InChIKey is AEMIQCWNCUSSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN8O/c26-17-3-1-16(2-4-17)24-25(34-23(30-24)8-6-21(27)32-34)19-5-7-22-29-18(14-33(22)31-19)13-20(35)15-9-11-28-12-10-15/h1-12,14H,13H2,(H2,27,32).
What are the key properties of 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone?
2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone has a molecular weight of 464.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[6-amino-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]imidazo[1,2-b]pyridazin-2-yl]-1-pyridin-4-ylethanone is sourced from PubChem (CID 146928238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).