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

C22H17F3N4O3 — CID 71448666

IUPACN-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)32-17-6-2-4-15(12-17)19-13-27-20-8-7-18(28-29(19)20)14-3-1-5-16(11-14)21(31)26-9-10-30/h1-8,11-13,30H,9-10H2,(H,26,31)
InChIKeyDUVCZNDCAMVWDP-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.68
Rot. Bonds6

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

N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide (PubChem CID 71448666) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
PubChem CID71448666
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC NameN-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide
SMILESO=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1
InChIInChI=1S/C22H17F3N4O3/c23-22(24,25)32-17-6-2-4-15(12-17)19-13-27-20-8-7-18(28-29(19)20)14-3-1-5-16(11-14)21(31)26-9-10-30/h1-8,11-13,30H,9-10H2,(H,26,31)
InChIKeyDUVCZNDCAMVWDP-UHFFFAOYSA-N
XLogP3.68
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The IUPAC name of N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide (CID 71448666) is N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide is O=C(NCCO)c1cccc(-c2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
The InChIKey is DUVCZNDCAMVWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c23-22(24,25)32-17-6-2-4-15(12-17)19-13-27-20-8-7-18(28-29(19)20)14-3-1-5-16(11-14)21(31)26-9-10-30/h1-8,11-13,30H,9-10H2,(H,26,31).
What are the key properties of N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide?
N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide has a molecular weight of 442.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]benzamide is sourced from PubChem (CID 71448666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).