1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone

C18H12F2N4O2 — CID 58190570

IUPAC1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIInChI=1S/C18H12F2N4O2/c1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13/h2-8,18,26H,1H3
InChIKeySYAINYWEXMVKCA-UHFFFAOYSA-N
MW354.32 g/mol
LogP2.84
Rot. Bonds3

About 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone

1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (PubChem CID 58190570) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
PubChem CID58190570
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone
SMILESCC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1
InChIInChI=1S/C18H12F2N4O2/c1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13/h2-8,18,26H,1H3
InChIKeySYAINYWEXMVKCA-UHFFFAOYSA-N
XLogP2.84
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The IUPAC name of 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone (CID 58190570) is 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone.
What is the SMILES notation for 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The canonical SMILES for 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is CC(=O)c1ccc2ncc(C(O)c3c(F)cc4ncccc4c3F)n2n1.
What is the InChIKey of 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
The InChIKey is SYAINYWEXMVKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c1-9(25)12-4-5-15-22-8-14(24(15)23-12)18(26)16-11(19)7-13-10(17(16)20)3-2-6-21-13/h2-8,18,26H,1H3.
What are the key properties of 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone?
1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone has a molecular weight of 354.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,7-difluoroquinolin-6-yl)-hydroxymethyl]imidazo[1,2-b]pyridazin-6-yl]ethanone is sourced from PubChem (CID 58190570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).