N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

C23H22N4O4 — CID 126672967

IUPACN-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1cc(-c2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O4/c1-14(28)25-17-7-5-6-15(10-17)19-13-24-22-9-8-18(26-27(19)22)16-11-20(29-2)23(31-4)21(12-16)30-3/h5-13H,1-4H3,(H,25,28)
InChIKeyUNYDHZMQHRDXHY-UHFFFAOYSA-N
MW418.45 g/mol
LogP4.05
Rot. Bonds6

About N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide

N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (PubChem CID 126672967) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
PubChem CID126672967
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
SMILESCOc1cc(-c2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)cc(OC)c1OC
InChIInChI=1S/C23H22N4O4/c1-14(28)25-17-7-5-6-15(10-17)19-13-24-22-9-8-18(26-27(19)22)16-11-20(29-2)23(31-4)21(12-16)30-3/h5-13H,1-4H3,(H,25,28)
InChIKeyUNYDHZMQHRDXHY-UHFFFAOYSA-N
XLogP4.05
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl N-[6-[(3,4,5-trimethoxyphenyl)methoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate
CID 6918099
5-methyl-7-phenyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 9886746
5-methyl-7-(3-phenoxyphenyl)-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 11155941
7-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 56668417
6-(3,4-Dimethoxyphenyl)-2,3-dimethylimidazo[1,2-b][1,2,4]triazine
CID 715685
N-(3-{Imidazo[1,2-A]pyrimidin-2-YL}phenyl)-3,4,5-trimethoxybenzamide
CID 5304380
Tubulin inhibitor 24
CID 155804415
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16010752
3-phenyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl][1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 6623116
3-{3-[(4-Methoxyphenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}-N-(3,4,5-trimethoxyphenyl)propanamide
CID 16009029
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide (CID 126672967) is N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is COc1cc(-c2ccc3ncc(-c4cccc(NC(C)=O)c4)n3n2)cc(OC)c1OC.
What is the InChIKey of N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
The InChIKey is UNYDHZMQHRDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14(28)25-17-7-5-6-15(10-17)19-13-24-22-9-8-18(26-27(19)22)16-11-20(29-2)23(31-4)21(12-16)30-3/h5-13H,1-4H3,(H,25,28).
What are the key properties of N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide?
N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide has a molecular weight of 418.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide is sourced from PubChem (CID 126672967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).