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

C20H20N4O3S — CID 126474101

IUPAC3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4cccs4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3S/c1-25-15-9-13(10-16(26-2)20(15)27-3)11-21-18-6-7-19-22-12-14(24(19)23-18)17-5-4-8-28-17/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyNKFISHKGFYZGAV-UHFFFAOYSA-N
MW396.47 g/mol
LogP4.10
Rot. Bonds7

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

3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 126474101) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID126474101
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1cc(CNc2ccc3ncc(-c4cccs4)n3n2)cc(OC)c1OC
InChIInChI=1S/C20H20N4O3S/c1-25-15-9-13(10-16(26-2)20(15)27-3)11-21-18-6-7-19-22-12-14(24(19)23-18)17-5-4-8-28-17/h4-10,12H,11H2,1-3H3,(H,21,23)
InChIKeyNKFISHKGFYZGAV-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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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine (CID 126474101) is 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is COc1cc(CNc2ccc3ncc(-c4cccs4)n3n2)cc(OC)c1OC.
What is the InChIKey of 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is NKFISHKGFYZGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-25-15-9-13(10-16(26-2)20(15)27-3)11-21-18-6-7-19-22-12-14(24(19)23-18)17-5-4-8-28-17/h4-10,12H,11H2,1-3H3,(H,21,23).
What are the key properties of 3-thiophen-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine?
3-thiophen-2-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-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 126474101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).