3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

C20H20N4O3S — CID 126474359

IUPAC3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4ccsc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3S/c1-25-16-8-13(9-17(26-2)20(16)27-3)10-21-18-4-5-19-22-11-15(24(19)23-18)14-6-7-28-12-14/h4-9,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyMDZFOJFXCPGBGU-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.10
Rot. Bonds7

About 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine

3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126474359) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID126474359
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4ccsc4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3S/c1-25-16-8-13(9-17(26-2)20(16)27-3)10-21-18-4-5-19-22-11-15(24(19)23-18)14-6-7-28-12-14/h4-9,11-12H,10H2,1-3H3,(H,21,23)
InChIKeyMDZFOJFXCPGBGU-UHFFFAOYSA-N
XLogP4.10
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(1-methylpyrazol-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126474614
[3-[6-[(3,4,5-trimethoxyphenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 126474180
3-(1,3-benzodioxol-5-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
CID 126473754
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 126471750
N-(2-pyridin-3-ylethyl)-3-(3,4,5-trimethoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857590
4-[6-[(3,4-dichlorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-2-methoxyphenol
CID 135900201
N-(2-pyridin-3-ylethyl)-3-thiophen-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 58857796
4-[[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
CID 25103689
N-[(2,4-dimethylphenyl)methyl]-3-(3-methoxy-4-methylphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 140905268
3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 44580233
N-[(3,4-dichlorophenyl)methyl]-3-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-6-amine
CID 126475837
6-ethyl-3-thiophen-3-ylimidazo[1,2-b]pyridazine
CID 123295376

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 126474359) is 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1cc(CNc2ccc3ncc(-c4ccsc4)n3n2)cc(OC)c1OC.
What is the InChIKey of 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is MDZFOJFXCPGBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-25-16-8-13(9-17(26-2)20(16)27-3)10-21-18-4-5-19-22-11-15(24(19)23-18)14-6-7-28-12-14/h4-9,11-12H,10H2,1-3H3,(H,21,23).
What are the key properties of 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 396.47 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126474359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).