N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide

C23H22FN5O — CID 126672885

IUPACN-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C23H22FN5O/c1-28(2)13-12-25-23(30)18-5-3-4-17(14-18)21-15-26-22-11-10-20(27-29(21)22)16-6-8-19(24)9-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)
InChIKeyJAITZHSDEMVCQA-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.49
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 126672885) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID126672885
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccc(F)cc4)nn23)c1
InChIInChI=1S/C23H22FN5O/c1-28(2)13-12-25-23(30)18-5-3-4-17(14-18)21-15-26-22-11-10-20(27-29(21)22)16-6-8-19(24)9-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,30)
InChIKeyJAITZHSDEMVCQA-UHFFFAOYSA-N
XLogP3.49
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 126672885) is N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4ccc(F)cc4)nn23)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is JAITZHSDEMVCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-28(2)13-12-25-23(30)18-5-3-4-17(14-18)21-15-26-22-11-10-20(27-29(21)22)16-6-8-19(24)9-7-16/h3-11,14-15H,12-13H2,1-2H3,(H,25,30).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 126672885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).