N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide

C22H20N4O3 — CID 90479925

IUPACN-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)c1
InChIInChI=1S/C22H20N4O3/c27-10-9-23-22(29)18-6-2-4-16(12-18)19-7-8-21-24-13-20(26(21)25-19)17-5-1-3-15(11-17)14-28/h1-8,11-13,27-28H,9-10,14H2,(H,23,29)
InChIKeyGIPQDNPQGVOJPQ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.28
Rot. Bonds6

About N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide

N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 90479925) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID90479925
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)c1
InChIInChI=1S/C22H20N4O3/c27-10-9-23-22(29)18-6-2-4-16(12-18)19-7-8-21-24-13-20(26(21)25-19)17-5-1-3-15(11-17)14-28/h1-8,11-13,27-28H,9-10,14H2,(H,23,29)
InChIKeyGIPQDNPQGVOJPQ-UHFFFAOYSA-N
XLogP2.28
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 90479925) is N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide is O=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(CO)c4)n3n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is GIPQDNPQGVOJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-10-9-23-22(29)18-6-2-4-16(12-18)19-7-8-21-24-13-20(26(21)25-19)17-5-1-3-15(11-17)14-28/h1-8,11-13,27-28H,9-10,14H2,(H,23,29).
What are the key properties of N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 388.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[3-[3-(hydroxymethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 90479925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).