3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol

C17H12N4O — CID 126672883

IUPAC3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
SMILESOc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C17H12N4O/c22-14-3-1-2-13(10-14)16-11-19-17-5-4-15(20-21(16)17)12-6-8-18-9-7-12/h1-11,22H
InChIKeyOUFBQIDTXHSFMS-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.16
Rot. Bonds2

About 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol

3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol (PubChem CID 126672883) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol.

Molecular Properties

Compound Name3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
PubChem CID126672883
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol
SMILESOc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1
InChIInChI=1S/C17H12N4O/c22-14-3-1-2-13(10-14)16-11-19-17-5-4-15(20-21(16)17)12-6-8-18-9-7-12/h1-11,22H
InChIKeyOUFBQIDTXHSFMS-UHFFFAOYSA-N
XLogP3.16
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The IUPAC name of 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol (CID 126672883) is 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol.
What is the SMILES notation for 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The canonical SMILES for 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol is Oc1cccc(-c2cnc3ccc(-c4ccncc4)nn23)c1.
What is the InChIKey of 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
The InChIKey is OUFBQIDTXHSFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-14-3-1-2-13(10-14)16-11-19-17-5-4-15(20-21(16)17)12-6-8-18-9-7-12/h1-11,22H.
What are the key properties of 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol?
3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol has a molecular weight of 288.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-pyridin-4-ylimidazo[1,2-b]pyridazin-3-yl)phenol is sourced from PubChem (CID 126672883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).