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

C20H17N3O2 — CID 126672786

IUPAC[4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1
InChIInChI=1S/C20H17N3O2/c24-12-14-4-6-16(7-5-14)18-8-9-20-21-11-19(23(20)22-18)17-3-1-2-15(10-17)13-25/h1-11,24-25H,12-13H2
InChIKeyDVNRVFAXXLUOEF-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.05
Rot. Bonds4

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

[4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (PubChem CID 126672786) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
PubChem CID126672786
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name[4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol
SMILESOCc1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1
InChIInChI=1S/C20H17N3O2/c24-12-14-4-6-16(7-5-14)18-8-9-20-21-11-19(23(20)22-18)17-3-1-2-15(10-17)13-25/h1-11,24-25H,12-13H2
InChIKeyDVNRVFAXXLUOEF-UHFFFAOYSA-N
XLogP3.05
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol (CID 126672786) is [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is OCc1ccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)cc1.
What is the InChIKey of [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
The InChIKey is DVNRVFAXXLUOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-12-14-4-6-16(7-5-14)18-8-9-20-21-11-19(23(20)22-18)17-3-1-2-15(10-17)13-25/h1-11,24-25H,12-13H2.
What are the key properties of [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol?
[4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol has a molecular weight of 331.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanol is sourced from PubChem (CID 126672786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).