1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine

C38H26ClFN6S2 — CID 91148853

IUPAC1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine
SMILESFc1ccc(-c2csc3nccc(N(Cc4ccccn4)N(Cc4ccccn4)c4cc(Cl)nc5scc(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C38H26ClFN6S2/c39-34-20-33(36-30(24-48-38(36)44-34)25-8-2-1-3-9-25)46(22-29-11-5-7-18-42-29)45(21-28-10-4-6-17-41-28)32-16-19-43-37-35(32)31(23-47-37)26-12-14-27(40)15-13-26/h1-20,23-24H,21-22H2
InChIKeyCZAWRAIWOKUPTG-UHFFFAOYSA-N
MW685.25 g/mol
LogP10.45
Rot. Bonds9

About 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine

1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine (PubChem CID 91148853) has the molecular formula C38H26ClFN6S2 and a molecular weight of 685.25 g/mol. Its IUPAC name is 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine.

Molecular Properties

Compound Name1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine
PubChem CID91148853
Molecular FormulaC38H26ClFN6S2
Molecular Weight685.25 g/mol
Exact Mass684.13
IUPAC Name1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine
SMILESFc1ccc(-c2csc3nccc(N(Cc4ccccn4)N(Cc4ccccn4)c4cc(Cl)nc5scc(-c6ccccc6)c45)c23)cc1
InChIInChI=1S/C38H26ClFN6S2/c39-34-20-33(36-30(24-48-38(36)44-34)25-8-2-1-3-9-25)46(22-29-11-5-7-18-42-29)45(21-28-10-4-6-17-41-28)32-16-19-43-37-35(32)31(23-47-37)26-12-14-27(40)15-13-26/h1-20,23-24H,21-22H2
InChIKeyCZAWRAIWOKUPTG-UHFFFAOYSA-N
XLogP10.45
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.25
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine?
The IUPAC name of 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine (CID 91148853) is 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine.
What is the SMILES notation for 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine?
The canonical SMILES for 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine is Fc1ccc(-c2csc3nccc(N(Cc4ccccn4)N(Cc4ccccn4)c4cc(Cl)nc5scc(-c6ccccc6)c45)c23)cc1.
What is the InChIKey of 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine?
The InChIKey is CZAWRAIWOKUPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26ClFN6S2/c39-34-20-33(36-30(24-48-38(36)44-34)25-8-2-1-3-9-25)46(22-29-11-5-7-18-42-29)45(21-28-10-4-6-17-41-28)32-16-19-43-37-35(32)31(23-47-37)26-12-14-27(40)15-13-26/h1-20,23-24H,21-22H2.
What are the key properties of 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine?
1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine has a molecular weight of 685.25 g/mol, XLogP of 10.45, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-phenylthieno[2,3-b]pyridin-4-yl)-2-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-4-yl]-1,2-bis(pyridin-2-ylmethyl)hydrazine is sourced from PubChem (CID 91148853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).