N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine

C22H19N5O3S — CID 78427377

IUPACN-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cncc(OC)c5s4)n3n2)cc1OC
InChIInChI=1S/C22H19N5O3S/c1-28-16-5-4-14(9-17(16)29-2)25-20-6-7-21-24-11-15(27(21)26-20)19-8-13-10-23-12-18(30-3)22(13)31-19/h4-12H,1-3H3,(H,25,26)
InChIKeyIFAALLGIIISFTJ-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.78
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine

N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 78427377) has the molecular formula C22H19N5O3S and a molecular weight of 433.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID78427377
Molecular FormulaC22H19N5O3S
Molecular Weight433.49 g/mol
Exact Mass433.12
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cncc(OC)c5s4)n3n2)cc1OC
InChIInChI=1S/C22H19N5O3S/c1-28-16-5-4-14(9-17(16)29-2)25-20-6-7-21-24-11-15(27(21)26-20)19-8-13-10-23-12-18(30-3)22(13)31-19/h4-12H,1-3H3,(H,25,26)
InChIKeyIFAALLGIIISFTJ-UHFFFAOYSA-N
XLogP4.78
TPSA82.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 78427377) is N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(Nc2ccc3ncc(-c4cc5cncc(OC)c5s4)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is IFAALLGIIISFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3S/c1-28-16-5-4-14(9-17(16)29-2)25-20-6-7-21-24-11-15(27(21)26-20)19-8-13-10-23-12-18(30-3)22(13)31-19/h4-12H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 433.49 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(7-methoxythieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 78427377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).