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

C24H26N6O3S — CID 71447361

IUPACN-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)nn23)c1
InChIInChI=1S/C24H26N6O3S/c1-29(2)13-12-25-24(31)19-8-4-7-18(14-19)22-16-26-23-11-10-21(27-30(22)23)17-6-5-9-20(15-17)28-34(3,32)33/h4-11,14-16,28H,12-13H2,1-3H3,(H,25,31)
InChIKeyYCBNUVJHEFLYJY-UHFFFAOYSA-N
MW478.58 g/mol
LogP2.73
Rot. Bonds8

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

N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 71447361) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID71447361
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)nn23)c1
InChIInChI=1S/C24H26N6O3S/c1-29(2)13-12-25-24(31)19-8-4-7-18(14-19)22-16-26-23-11-10-21(27-30(22)23)17-6-5-9-20(15-17)28-34(3,32)33/h4-11,14-16,28H,12-13H2,1-3H3,(H,25,31)
InChIKeyYCBNUVJHEFLYJY-UHFFFAOYSA-N
XLogP2.73
TPSA108.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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1-[3-[6-(3-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]ethanone
CID 155556179
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CID 156515455
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CID 7524262
4-[[5-(3-acetamidophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-[2-(dimethylamino)ethyl]benzamide
CID 59186261
N-[2-(dimethylamino)ethyl]-3-(3-ethylphenyl)benzamide
CID 70827081
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
3-[6-amino-5-(4-phenylphenyl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 25106863
6-[3-(dimethylsulfamoylamino)phenyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532820

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 71447361) is N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide is CN(C)CCNC(=O)c1cccc(-c2cnc3ccc(-c4cccc(NS(C)(=O)=O)c4)nn23)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is YCBNUVJHEFLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-29(2)13-12-25-24(31)19-8-4-7-18(14-19)22-16-26-23-11-10-21(27-30(22)23)17-6-5-9-20(15-17)28-34(3,32)33/h4-11,14-16,28H,12-13H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 478.58 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[6-[3-(methanesulfonamido)phenyl]imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 71447361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).