1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

C18H13N5O — CID 155567435

IUPAC1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cncnc4)nn23)c1
InChIInChI=1S/C18H13N5O/c1-12(24)13-3-2-4-14(7-13)17-10-21-18-6-5-16(22-23(17)18)15-8-19-11-20-9-15/h2-11H,1H3
InChIKeyBETCPHQVVAEFQZ-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.06
Rot. Bonds3

About 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone

1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (PubChem CID 155567435) has the molecular formula C18H13N5O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
PubChem CID155567435
Molecular FormulaC18H13N5O
Molecular Weight315.34 g/mol
Exact Mass315.11
IUPAC Name1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cnc3ccc(-c4cncnc4)nn23)c1
InChIInChI=1S/C18H13N5O/c1-12(24)13-3-2-4-14(7-13)17-10-21-18-6-5-16(22-23(17)18)15-8-19-11-20-9-15/h2-11H,1H3
InChIKeyBETCPHQVVAEFQZ-UHFFFAOYSA-N
XLogP3.06
TPSA73.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone (CID 155567435) is 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is CC(=O)c1cccc(-c2cnc3ccc(-c4cncnc4)nn23)c1.
What is the InChIKey of 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
The InChIKey is BETCPHQVVAEFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O/c1-12(24)13-3-2-4-14(7-13)17-10-21-18-6-5-16(22-23(17)18)15-8-19-11-20-9-15/h2-11H,1H3.
What are the key properties of 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone?
1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone has a molecular weight of 315.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-pyrimidin-5-ylimidazo[1,2-b]pyridazin-3-yl)phenyl]ethanone is sourced from PubChem (CID 155567435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).