methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate

C29H29N5O3 — CID 123515518

IUPACmethyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(C=Cc3ccc4c(n3)CCCC4)nc3c(N4CCOCC4)ccnn23)cc1
InChIInChI=1S/C29H29N5O3/c1-36-29(35)22-8-6-21(7-9-22)27-25(13-12-23-11-10-20-4-2-3-5-24(20)31-23)32-28-26(14-15-30-34(27)28)33-16-18-37-19-17-33/h6-15H,2-5,16-19H2,1H3
InChIKeyUBRYEAOIQCEWRM-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.46
Rot. Bonds5

About methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate

methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate (PubChem CID 123515518) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate
PubChem CID123515518
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC Namemethyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate
SMILESCOC(=O)c1ccc(-c2c(C=Cc3ccc4c(n3)CCCC4)nc3c(N4CCOCC4)ccnn23)cc1
InChIInChI=1S/C29H29N5O3/c1-36-29(35)22-8-6-21(7-9-22)27-25(13-12-23-11-10-20-4-2-3-5-24(20)31-23)32-28-26(14-15-30-34(27)28)33-16-18-37-19-17-33/h6-15H,2-5,16-19H2,1H3
InChIKeyUBRYEAOIQCEWRM-UHFFFAOYSA-N
XLogP4.46
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]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-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 91844700
4-[2-[2-(1,3-benzothiazol-2-yl)ethenyl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 154081968
2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]-1H-1,2,4-triazol-5-one
CID 154081978
tert-butyl 1-[8-morpholin-4-yl-2-(2-quinolin-2-ylethenyl)imidazo[1,2-b]pyridazin-3-yl]piperidine-4-carboxylate
CID 123620876
methyl 3-cyano-4-morpholin-4-ylbenzoate
CID 155293483
methyl 3-methyl-4-morpholin-4-ylbenzoate
CID 67528858
methyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]benzoate
CID 58207276
methyl 4-chloro-3-morpholin-4-ylbenzoate
CID 7148400
4-[3-[6-(cyclopropylmethoxy)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 67173008
4-[3-[6-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]-2-methylimidazo[1,2-b]pyridazin-8-yl]morpholine
CID 58496276
2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 82555600
methyl 4-[[2-(2-morpholin-4-ylanilino)acetyl]amino]benzoate
CID 109010194

Frequently Asked Questions

What is the IUPAC name of methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate?
The IUPAC name of methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate (CID 123515518) is methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate.
What is the SMILES notation for methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate?
The canonical SMILES for methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate is COC(=O)c1ccc(-c2c(C=Cc3ccc4c(n3)CCCC4)nc3c(N4CCOCC4)ccnn23)cc1.
What is the InChIKey of methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate?
The InChIKey is UBRYEAOIQCEWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-36-29(35)22-8-6-21(7-9-22)27-25(13-12-23-11-10-20-4-2-3-5-24(20)31-23)32-28-26(14-15-30-34(27)28)33-16-18-37-19-17-33/h6-15H,2-5,16-19H2,1H3.
What are the key properties of methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate?
methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate has a molecular weight of 495.58 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[8-morpholin-4-yl-2-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]imidazo[1,2-b]pyridazin-3-yl]benzoate is sourced from PubChem (CID 123515518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).