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

C22H19N5O2S — CID 90387897

IUPACN-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1OC
InChIInChI=1S/C22H19N5O2S/c1-13-10-23-11-14-8-19(30-22(13)14)16-12-24-21-7-6-20(26-27(16)21)25-15-4-5-17(28-2)18(9-15)29-3/h4-12H,1-3H3,(H,25,26)
InChIKeyPIXQQTTUVLUGBZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP5.08
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 90387897) has the molecular formula C22H19N5O2S and a molecular weight of 417.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID90387897
Molecular FormulaC22H19N5O2S
Molecular Weight417.49 g/mol
Exact Mass417.13
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCOc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1OC
InChIInChI=1S/C22H19N5O2S/c1-13-10-23-11-14-8-19(30-22(13)14)16-12-24-21-7-6-20(26-27(16)21)25-15-4-5-17(28-2)18(9-15)29-3/h4-12H,1-3H3,(H,25,26)
InChIKeyPIXQQTTUVLUGBZ-UHFFFAOYSA-N
XLogP5.08
TPSA73.57 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine (CID 90387897) is N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[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-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is COc1ccc(Nc2ccc3ncc(-c4cc5cncc(C)c5s4)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PIXQQTTUVLUGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2S/c1-13-10-23-11-14-8-19(30-22(13)14)16-12-24-21-7-6-20(26-27(16)21)25-15-4-5-17(28-2)18(9-15)29-3/h4-12H,1-3H3,(H,25,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine?
N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 417.49 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-3-(7-methylthieno[3,2-c]pyridin-2-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 90387897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).