6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde

C17H17ClN4O3 — CID 118155386

IUPAC6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCOc1ccc(CN(CCO)c2cc(Cl)nn3c(C=O)cnc23)cc1
InChIInChI=1S/C17H17ClN4O3/c1-25-14-4-2-12(3-5-14)10-21(6-7-23)15-8-16(18)20-22-13(11-24)9-19-17(15)22/h2-5,8-9,11,23H,6-7,10H2,1H3
InChIKeyNZNFYOLGICSPAQ-UHFFFAOYSA-N
MW360.80 g/mol
LogP2.20
Rot. Bonds7

About 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde

6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde (PubChem CID 118155386) has the molecular formula C17H17ClN4O3 and a molecular weight of 360.80 g/mol. Its IUPAC name is 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
PubChem CID118155386
Molecular FormulaC17H17ClN4O3
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde
SMILESCOc1ccc(CN(CCO)c2cc(Cl)nn3c(C=O)cnc23)cc1
InChIInChI=1S/C17H17ClN4O3/c1-25-14-4-2-12(3-5-14)10-21(6-7-23)15-8-16(18)20-22-13(11-24)9-19-17(15)22/h2-5,8-9,11,23H,6-7,10H2,1H3
InChIKeyNZNFYOLGICSPAQ-UHFFFAOYSA-N
XLogP2.20
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde 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

ethyl 7-bromo-6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate;ethyl 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carboxylate
CID 159126135
6-chloro-3-isocyano-N-[(4-methoxyphenyl)methyl]-N-(2,2,2-trifluoroethyl)imidazo[1,2-b]pyridazin-8-amine
CID 140943124
6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 118155218
6-chloro-N-cyclobutyl-3-isocyano-N-[(4-methoxyphenyl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 59313898
2-[N-[(4-chlorophenyl)methyl]-4-methoxyanilino]ethanol
CID 138519660
8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
CID 70959519
6-chloro-N-[(3R)-1-ethyl-2-oxoazetidin-3-yl]-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 169148321
6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624628
6-chloro-8-[(4-methoxyphenyl)methyl-(5-methyl-2-pyridinyl)amino]-N-pyridin-4-ylimidazo[1,2-b]pyridazine-3-carboxamide
CID 59624858
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
5-bromo-4-chloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 147051492
(2-bromo-5-chloro-3-pyridinyl)-[(4-methoxyphenyl)methyl]carbamic acid
CID 143610345

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde?
The IUPAC name of 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde (CID 118155386) is 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde?
The canonical SMILES for 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde is COc1ccc(CN(CCO)c2cc(Cl)nn3c(C=O)cnc23)cc1.
What is the InChIKey of 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde?
The InChIKey is NZNFYOLGICSPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O3/c1-25-14-4-2-12(3-5-14)10-21(6-7-23)15-8-16(18)20-22-13(11-24)9-19-17(15)22/h2-5,8-9,11,23H,6-7,10H2,1H3.
What are the key properties of 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde?
6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde has a molecular weight of 360.80 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[2-hydroxyethyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-b]pyridazine-3-carbaldehyde is sourced from PubChem (CID 118155386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).