N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

C26H29ClN6O4 — CID 155114547

IUPACN-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1
InChIInChI=1S/C26H29ClN6O4/c1-32(16-17-5-7-18(35-2)8-6-17)21-14-24(27)31-33-22(15-30-25(21)33)26(34)29-11-4-12-37-19-9-10-23(36-3)20(28)13-19/h5-10,13-15H,4,11-12,16,28H2,1-3H3,(H,29,34)
InChIKeyZKTVOYCQGIGQNF-UHFFFAOYSA-N
MW525.01 g/mol
LogP3.82
Rot. Bonds11

About N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide

N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155114547) has the molecular formula C26H29ClN6O4 and a molecular weight of 525.01 g/mol. Its IUPAC name is N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID155114547
Molecular FormulaC26H29ClN6O4
Molecular Weight525.01 g/mol
Exact Mass524.19
IUPAC NameN-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1
InChIInChI=1S/C26H29ClN6O4/c1-32(16-17-5-7-18(35-2)8-6-17)21-14-24(27)31-33-22(15-30-25(21)33)26(34)29-11-4-12-37-19-9-10-23(36-3)20(28)13-19/h5-10,13-15H,4,11-12,16,28H2,1-3H3,(H,29,34)
InChIKeyZKTVOYCQGIGQNF-UHFFFAOYSA-N
XLogP3.82
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.01
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 155114547) is N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is COc1ccc(CN(C)c2cc(Cl)nn3c(C(=O)NCCCOc4ccc(OC)c(N)c4)cnc23)cc1.
What is the InChIKey of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is ZKTVOYCQGIGQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O4/c1-32(16-17-5-7-18(35-2)8-6-17)21-14-24(27)31-33-22(15-30-25(21)33)26(34)29-11-4-12-37-19-9-10-23(36-3)20(28)13-19/h5-10,13-15H,4,11-12,16,28H2,1-3H3,(H,29,34).
What are the key properties of N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide?
N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 525.01 g/mol, XLogP of 3.82, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-4-methoxyphenoxy)propyl]-6-chloro-8-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155114547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).