5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one

C20H19N5OS — CID 90415790

IUPAC5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCN(C)CCn1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H19N5OS/c1-24(2)11-12-25-20(26)17-16(14-3-7-21-8-4-14)13-27-19(17)18(23-25)15-5-9-22-10-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyZWKBKBBRCHLOSV-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.14
Rot. Bonds5

About 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one

5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 90415790) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID90415790
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCN(C)CCn1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C20H19N5OS/c1-24(2)11-12-25-20(26)17-16(14-3-7-21-8-4-14)13-27-19(17)18(23-25)15-5-9-22-10-6-15/h3-10,13H,11-12H2,1-2H3
InChIKeyZWKBKBBRCHLOSV-UHFFFAOYSA-N
XLogP3.14
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 90415790) is 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one is CN(C)CCn1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is ZWKBKBBRCHLOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-24(2)11-12-25-20(26)17-16(14-3-7-21-8-4-14)13-27-19(17)18(23-25)15-5-9-22-10-6-15/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 377.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethyl]-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 90415790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).