N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide

C24H25N5O3 — CID 135566964

IUPACN-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)ccc1O
InChIInChI=1S/C24H25N5O3/c1-28(2)12-11-25-24(31)18-6-4-5-17(13-18)20-15-26-23-10-8-19(27-29(20)23)16-7-9-21(30)22(14-16)32-3/h4-10,13-15,30H,11-12H2,1-3H3,(H,25,31)
InChIKeyALWZBBYENDJVJY-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.07
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (PubChem CID 135566964) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
PubChem CID135566964
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
SMILESCOc1cc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)ccc1O
InChIInChI=1S/C24H25N5O3/c1-28(2)12-11-25-24(31)18-6-4-5-17(13-18)20-15-26-23-10-8-19(27-29(20)23)16-7-9-21(30)22(14-16)32-3/h4-10,13-15,30H,11-12H2,1-3H3,(H,25,31)
InChIKeyALWZBBYENDJVJY-UHFFFAOYSA-N
XLogP3.07
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzoyl)amino]benzoic Acid
CID 44189262
3-{8-[(3,4-Dimethoxyphenyl)amino]imidazo[1,2-A]pyrazin-6-Yl}benzamide
CID 69000930
4-(3-(8-(5,6-Dimethoxypyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzamido)benzoic acid
CID 71457142
2-[(1S)-1-[[5-(4-hydroxy-3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethyl]-5-methyl-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 73776070
N-cyclopropyl-4-[6-(2-hydroxyphenoxy)-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 118732124
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
3,4-dimethoxy-N-(3-{[1,2,4]triazolo[4,3-b]pyridazin-6-yl}phenyl)benzamide
CID 7217791
2-Methoxy-4-(3-phenylimino-1,7-dihydroimidazo[1,2-a]pyrazin-2-ylidene)-1-cyclohexa-2,5-dienone
CID 5309317
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-({[1,2,3,4]tetrazolo[1,5-A]quinoxalin-4-YL}amino)benzamide
CID 15989989
1H-Pyrazolo[3,4-b]pyridine-4-carboxaMide, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(1,2-dihydro-4,6-diMethyl-2-oxo-3-pyridinyl)Methyl]-1-(1-Methylethyl)-
CID 16598922
3-{[3-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino}propan-1-ol
CID 25104051
4-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 25121551

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide (CID 135566964) is N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is COc1cc(-c2ccc3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3n2)ccc1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
The InChIKey is ALWZBBYENDJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-28(2)12-11-25-24(31)18-6-4-5-17(13-18)20-15-26-23-10-8-19(27-29(20)23)16-7-9-21(30)22(14-16)32-3/h4-10,13-15,30H,11-12H2,1-3H3,(H,25,31).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide has a molecular weight of 431.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[6-(4-hydroxy-3-methoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]benzamide is sourced from PubChem (CID 135566964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).