1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine

C40H29FN4S2 — CID 69251871

IUPAC1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine
SMILESFc1ccc(-c2csc3ccnc(N(Cc4ccccc4)N(Cc4ccccc4)c4nccc5scc(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C40H29FN4S2/c41-32-18-16-31(17-19-32)34-27-47-36-21-23-43-40(38(34)36)45(25-29-12-6-2-7-13-29)44(24-28-10-4-1-5-11-28)39-37-33(30-14-8-3-9-15-30)26-46-35(37)20-22-42-39/h1-23,26-27H,24-25H2
InChIKeyQPGNOOAFWXGTIB-UHFFFAOYSA-N
MW648.83 g/mol
LogP11.01
Rot. Bonds9

About 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine

1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine (PubChem CID 69251871) has the molecular formula C40H29FN4S2 and a molecular weight of 648.83 g/mol. Its IUPAC name is 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine.

Molecular Properties

Compound Name1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine
PubChem CID69251871
Molecular FormulaC40H29FN4S2
Molecular Weight648.83 g/mol
Exact Mass648.18
IUPAC Name1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine
SMILESFc1ccc(-c2csc3ccnc(N(Cc4ccccc4)N(Cc4ccccc4)c4nccc5scc(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C40H29FN4S2/c41-32-18-16-31(17-19-32)34-27-47-36-21-23-43-40(38(34)36)45(25-29-12-6-2-7-13-29)44(24-28-10-4-1-5-11-28)39-37-33(30-14-8-3-9-15-30)26-46-35(37)20-22-42-39/h1-23,26-27H,24-25H2
InChIKeyQPGNOOAFWXGTIB-UHFFFAOYSA-N
XLogP11.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.83
LogP ≤ 511.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine 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 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine?
The IUPAC name of 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine (CID 69251871) is 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine.
What is the SMILES notation for 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine?
The canonical SMILES for 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine is Fc1ccc(-c2csc3ccnc(N(Cc4ccccc4)N(Cc4ccccc4)c4nccc5scc(-c6ccccc6)c45)c23)cc1.
What is the InChIKey of 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine?
The InChIKey is QPGNOOAFWXGTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29FN4S2/c41-32-18-16-31(17-19-32)34-27-47-36-21-23-43-40(38(34)36)45(25-29-12-6-2-7-13-29)44(24-28-10-4-1-5-11-28)39-37-33(30-14-8-3-9-15-30)26-46-35(37)20-22-42-39/h1-23,26-27H,24-25H2.
What are the key properties of 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine?
1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine has a molecular weight of 648.83 g/mol, XLogP of 11.01, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibenzyl-1-[3-(4-fluorophenyl)thieno[3,2-c]pyridin-4-yl]-2-(3-phenylthieno[3,2-c]pyridin-4-yl)hydrazine is sourced from PubChem (CID 69251871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).