7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one

C22H29N3O2S — CID 56672398

IUPAC7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
SMILESCCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1
InChIInChI=1S/C22H29N3O2S/c1-5-24(6-2)13-7-14-27-18-10-8-17(9-11-18)20-21-19(12-15-28-21)22(26)25(23-20)16(3)4/h8-12,15-16H,5-7,13-14H2,1-4H3
InChIKeyFOFOCYNVIJYQJC-UHFFFAOYSA-N
MW399.56 g/mol
LogP4.82
Rot. Bonds9

About 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one

7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 56672398) has the molecular formula C22H29N3O2S and a molecular weight of 399.56 g/mol. Its IUPAC name is 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
PubChem CID56672398
Molecular FormulaC22H29N3O2S
Molecular Weight399.56 g/mol
Exact Mass399.20
IUPAC Name7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
SMILESCCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1
InChIInChI=1S/C22H29N3O2S/c1-5-24(6-2)13-7-14-27-18-10-8-17(9-11-18)20-21-19(12-15-28-21)22(26)25(23-20)16(3)4/h8-12,15-16H,5-7,13-14H2,1-4H3
InChIKeyFOFOCYNVIJYQJC-UHFFFAOYSA-N
XLogP4.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.56
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-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 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one (CID 56672398) is 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one is CCN(CC)CCCOc1ccc(-c2nn(C(C)C)c(=O)c3ccsc23)cc1.
What is the InChIKey of 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is FOFOCYNVIJYQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2S/c1-5-24(6-2)13-7-14-27-18-10-8-17(9-11-18)20-21-19(12-15-28-21)22(26)25(23-20)16(3)4/h8-12,15-16H,5-7,13-14H2,1-4H3.
What are the key properties of 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one?
7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 399.56 g/mol, XLogP of 4.82, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[3-(diethylamino)propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 56672398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).