5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine

C14H8ClN3S — CID 176658077

IUPAC5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine
SMILESClc1ccc2scc(-c3ccnc4[nH]ccc34)c2n1
InChIInChI=1S/C14H8ClN3S/c15-12-2-1-11-13(18-12)10(7-19-11)8-3-5-16-14-9(8)4-6-17-14/h1-7H,(H,16,17)
InChIKeyLYLILDHAXPJXLF-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.49
Rot. Bonds1

About 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine

5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine (PubChem CID 176658077) has the molecular formula C14H8ClN3S and a molecular weight of 285.76 g/mol. Its IUPAC name is 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine
PubChem CID176658077
Molecular FormulaC14H8ClN3S
Molecular Weight285.76 g/mol
Exact Mass285.01
IUPAC Name5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine
SMILESClc1ccc2scc(-c3ccnc4[nH]ccc34)c2n1
InChIInChI=1S/C14H8ClN3S/c15-12-2-1-11-13(18-12)10(7-19-11)8-3-5-16-14-9(8)4-6-17-14/h1-7H,(H,16,17)
InChIKeyLYLILDHAXPJXLF-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine 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-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine?
The IUPAC name of 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine (CID 176658077) is 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine is Clc1ccc2scc(-c3ccnc4[nH]ccc34)c2n1.
What is the InChIKey of 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine?
The InChIKey is LYLILDHAXPJXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3S/c15-12-2-1-11-13(18-12)10(7-19-11)8-3-5-16-14-9(8)4-6-17-14/h1-7H,(H,16,17).
What are the key properties of 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine?
5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine has a molecular weight of 285.76 g/mol, XLogP of 4.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 176658077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).