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

C24H24Cl2N6O — CID 44530403

IUPAC3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1
InChIInChI=1S/C24H24Cl2N6O/c1-31(2)11-10-27-24(33)18-5-3-4-17(13-18)21-15-29-23-9-8-22(30-32(21)23)28-14-16-6-7-19(25)20(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33)(H,28,30)
InChIKeyBJIFJKAAJGCUSV-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.61
Rot. Bonds8

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

3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (PubChem CID 44530403) has the molecular formula C24H24Cl2N6O and a molecular weight of 483.40 g/mol. Its IUPAC name is 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
PubChem CID44530403
Molecular FormulaC24H24Cl2N6O
Molecular Weight483.40 g/mol
Exact Mass482.14
IUPAC Name3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1
InChIInChI=1S/C24H24Cl2N6O/c1-31(2)11-10-27-24(33)18-5-3-4-17(13-18)21-15-29-23-9-8-22(30-32(21)23)28-14-16-6-7-19(25)20(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33)(H,28,30)
InChIKeyBJIFJKAAJGCUSV-UHFFFAOYSA-N
XLogP4.61
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The IUPAC name of 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide (CID 44530403) is 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide.
What is the SMILES notation for 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The canonical SMILES for 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(NCc4ccc(Cl)c(Cl)c4)nn23)c1.
What is the InChIKey of 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
The InChIKey is BJIFJKAAJGCUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N6O/c1-31(2)11-10-27-24(33)18-5-3-4-17(13-18)21-15-29-23-9-8-22(30-32(21)23)28-14-16-6-7-19(25)20(26)12-16/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,27,33)(H,28,30).
What are the key properties of 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide?
3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide has a molecular weight of 483.40 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]benzamide is sourced from PubChem (CID 44530403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).