ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate

C23H21N5O4 — CID 66940508

IUPACethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cnc3ccc(Nc4ccc(OC)cc4)nn23)c1
InChIInChI=1S/C23H21N5O4/c1-3-32-23(30)15-5-4-6-17(13-15)26-22(29)19-14-24-21-12-11-20(27-28(19)21)25-16-7-9-18(31-2)10-8-16/h4-14H,3H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyNARBMHHHHXFBEB-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.91
Rot. Bonds7

About ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate

ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate (PubChem CID 66940508) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate
PubChem CID66940508
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Nameethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cnc3ccc(Nc4ccc(OC)cc4)nn23)c1
InChIInChI=1S/C23H21N5O4/c1-3-32-23(30)15-5-4-6-17(13-15)26-22(29)19-14-24-21-12-11-20(27-28(19)21)25-16-7-9-18(31-2)10-8-16/h4-14H,3H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyNARBMHHHHXFBEB-UHFFFAOYSA-N
XLogP3.91
TPSA106.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
1-[3-(4-Amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(4-phenylmethoxyphenyl)urea
CID 16739855
US10774086, Example 24
CID 139465947
5-(2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
CID 67774030
5-[2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-ylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 67775649
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
Ethyl 6-[4-(methoxycarbonyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
CID 2815687
Ethyl 5-ethyl-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
CID 23646539
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate (CID 66940508) is ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cnc3ccc(Nc4ccc(OC)cc4)nn23)c1.
What is the InChIKey of ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate?
The InChIKey is NARBMHHHHXFBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-3-32-23(30)15-5-4-6-17(13-15)26-22(29)19-14-24-21-12-11-20(27-28(19)21)25-16-7-9-18(31-2)10-8-16/h4-14H,3H2,1-2H3,(H,25,27)(H,26,29).
What are the key properties of ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate?
ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate has a molecular weight of 431.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[6-(4-methoxyanilino)imidazo[1,2-b]pyridazine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 66940508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).