1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine

C24H25N3O2S — CID 176700888

IUPAC1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOCCOc1ccccc1-c1nnc(-c2ccc(CN(C)C)cc2)c2ccsc12
InChIInChI=1S/C24H25N3O2S/c1-27(2)16-17-8-10-18(11-9-17)22-20-12-15-30-24(20)23(26-25-22)19-6-4-5-7-21(19)29-14-13-28-3/h4-12,15H,13-14,16H2,1-3H3
InChIKeyNQPJXLCPCLQYCF-UHFFFAOYSA-N
MW419.55 g/mol
LogP5.11
Rot. Bonds8

About 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine

1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine (PubChem CID 176700888) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine
PubChem CID176700888
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine
SMILESCOCCOc1ccccc1-c1nnc(-c2ccc(CN(C)C)cc2)c2ccsc12
InChIInChI=1S/C24H25N3O2S/c1-27(2)16-17-8-10-18(11-9-17)22-20-12-15-30-24(20)23(26-25-22)19-6-4-5-7-21(19)29-14-13-28-3/h4-12,15H,13-14,16H2,1-3H3
InChIKeyNQPJXLCPCLQYCF-UHFFFAOYSA-N
XLogP5.11
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.55
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine 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 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine (CID 176700888) is 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine is COCCOc1ccccc1-c1nnc(-c2ccc(CN(C)C)cc2)c2ccsc12.
What is the InChIKey of 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is NQPJXLCPCLQYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-27(2)16-17-8-10-18(11-9-17)22-20-12-15-30-24(20)23(26-25-22)19-6-4-5-7-21(19)29-14-13-28-3/h4-12,15H,13-14,16H2,1-3H3.
What are the key properties of 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine?
1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 419.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[2-(2-methoxyethoxy)phenyl]thieno[2,3-d]pyridazin-4-yl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 176700888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).