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

C18H14N4O — CID 90480158

IUPAC[4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H14N4O/c23-12-13-3-5-14(6-4-13)16-7-8-18-20-11-17(22(18)21-16)15-2-1-9-19-10-15/h1-11,23H,12H2
InChIKeyWRZRTJZTIMUWBR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.95
Rot. Bonds3

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

[4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (PubChem CID 90480158) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
PubChem CID90480158
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name[4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccnc4)n3n2)cc1
InChIInChI=1S/C18H14N4O/c23-12-13-3-5-14(6-4-13)16-7-8-18-20-11-17(22(18)21-16)15-2-1-9-19-10-15/h1-11,23H,12H2
InChIKeyWRZRTJZTIMUWBR-UHFFFAOYSA-N
XLogP2.95
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-42396302
CID 51352628
(5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
CID 21066379
US10399985, Example 3
CID 91826747
[4-[[5-(3-Propan-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 59186268
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
US10399985, Example 18
CID 118278162
US10399985, Example 15
CID 118278198
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
CID 44533020
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-7-yl)methanol
CID 44410563
4-(6-(3-(3-Fluorophenyl)morpholino)imidazo[1,2-b]pyridazin-3-yl)benzonitrile
CID 44518674
8-(4-Methyl-3-pyridinyl)-3-phenylimidazo[1,2-b]pyridazine
CID 54589038
12-[4-(Hydroxymethyl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 58266769

Frequently Asked Questions

What is the IUPAC name of [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The IUPAC name of [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol (CID 90480158) is [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol.
What is the SMILES notation for [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The canonical SMILES for [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is OCc1ccc(-c2ccc3ncc(-c4cccnc4)n3n2)cc1.
What is the InChIKey of [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
The InChIKey is WRZRTJZTIMUWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c23-12-13-3-5-14(6-4-13)16-7-8-18-20-11-17(22(18)21-16)15-2-1-9-19-10-15/h1-11,23H,12H2.
What are the key properties of [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol?
[4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol has a molecular weight of 302.34 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-pyridin-3-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]methanol is sourced from PubChem (CID 90480158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).