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

C21H18N4O3 — CID 126673155

IUPACN-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1
InChIInChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-5-1-3-14(11-16)18-7-8-20-23-13-19(25(20)24-18)15-4-2-6-17(27)12-15/h1-8,11-13,26-27H,9-10H2,(H,22,28)
InChIKeyJITGDMJJKLTRCR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.49
Rot. Bonds5

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

N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 126673155) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID126673155
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1
InChIInChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-5-1-3-14(11-16)18-7-8-20-23-13-19(25(20)24-18)15-4-2-6-17(27)12-15/h1-8,11-13,26-27H,9-10H2,(H,22,28)
InChIKeyJITGDMJJKLTRCR-UHFFFAOYSA-N
XLogP2.49
TPSA99.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.49
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-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 126673155) is N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is O=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(O)c4)n3n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is JITGDMJJKLTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c26-10-9-22-21(28)16-5-1-3-14(11-16)18-7-8-20-23-13-19(25(20)24-18)15-4-2-6-17(27)12-15/h1-8,11-13,26-27H,9-10H2,(H,22,28).
What are the key properties of N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-(2-hydroxyethyl)-3-[3-(3-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 374.40 g/mol, XLogP of 2.49, 5 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-hydroxyphenyl)imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 126673155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).