4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide

C27H25N7O3 — CID 71525805

IUPAC4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)NCCc4ccncc4)cc3)nn3ccnc23)nc1OC
InChIInChI=1S/C27H25N7O3/c1-36-23-7-8-24(32-27(23)37-2)31-22-17-21(33-34-16-15-29-25(22)34)19-3-5-20(6-4-19)26(35)30-14-11-18-9-12-28-13-10-18/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyNMUOEJIWLXRPEF-UHFFFAOYSA-N
MW495.54 g/mol
LogP3.92
Rot. Bonds9

About 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide

4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide (PubChem CID 71525805) has the molecular formula C27H25N7O3 and a molecular weight of 495.54 g/mol. Its IUPAC name is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide
PubChem CID71525805
Molecular FormulaC27H25N7O3
Molecular Weight495.54 g/mol
Exact Mass495.20
IUPAC Name4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)NCCc4ccncc4)cc3)nn3ccnc23)nc1OC
InChIInChI=1S/C27H25N7O3/c1-36-23-7-8-24(32-27(23)37-2)31-22-17-21(33-34-16-15-29-25(22)34)19-3-5-20(6-4-19)26(35)30-14-11-18-9-12-28-13-10-18/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,35)(H,31,32)
InChIKeyNMUOEJIWLXRPEF-UHFFFAOYSA-N
XLogP3.92
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide 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

N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146282429
7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
4-(3-(8-(5,6-Dimethoxypyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzamido)benzoic acid
CID 71457142
N-cyclopropyl-4-[6-(2-hydroxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118732124
US10774086, Example 24
CID 139465947
N-[3-[5-[5-(difluoromethoxy)pyridin-2-yl]-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146282365
US11926614, Example 57
CID 146282416
N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzamide
CID 91299904
N-cyclopropyl-4-[8-[(3-hydroxy-3-methylcyclobutyl)methylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 156018633
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551
[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-(4-pyridin-4-yl-piperazin-1-yl)-methanone
CID 44403141
[4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-morpholin-4-yl-methanone
CID 44403145

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide?
The IUPAC name of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide (CID 71525805) is 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide?
The canonical SMILES for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide is COc1ccc(Nc2cc(-c3ccc(C(=O)NCCc4ccncc4)cc3)nn3ccnc23)nc1OC.
What is the InChIKey of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide?
The InChIKey is NMUOEJIWLXRPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O3/c1-36-23-7-8-24(32-27(23)37-2)31-22-17-21(33-34-16-15-29-25(22)34)19-3-5-20(6-4-19)26(35)30-14-11-18-9-12-28-13-10-18/h3-10,12-13,15-17H,11,14H2,1-2H3,(H,30,35)(H,31,32).
What are the key properties of 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide?
4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide has a molecular weight of 495.54 g/mol, XLogP of 3.92, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]-N-(2-pyridin-4-ylethyl)benzamide is sourced from PubChem (CID 71525805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).