2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine

C27H17N3OS — CID 23156529

IUPAC2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1
InChIInChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H
InChIKeyJSPWEEZKEPYUHC-UHFFFAOYSA-N
MW431.52 g/mol
LogP7.37
Rot. Bonds4

About 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine

2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine (PubChem CID 23156529) has the molecular formula C27H17N3OS and a molecular weight of 431.52 g/mol. Its IUPAC name is 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine.

Molecular Properties

Compound Name2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
PubChem CID23156529
Molecular FormulaC27H17N3OS
Molecular Weight431.52 g/mol
Exact Mass431.11
IUPAC Name2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine
SMILESc1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1
InChIInChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H
InChIKeyJSPWEEZKEPYUHC-UHFFFAOYSA-N
XLogP7.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.52
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]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 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The IUPAC name of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine (CID 23156529) is 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine.
What is the SMILES notation for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The canonical SMILES for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine is c1ccc(-c2cc3nccc(Oc4cc5cccnc5nc4-c4ccccc4)c3s2)cc1.
What is the InChIKey of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
The InChIKey is JSPWEEZKEPYUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3OS/c1-3-8-18(9-4-1)24-17-21-26(32-24)22(13-15-28-21)31-23-16-20-12-7-14-29-27(20)30-25(23)19-10-5-2-6-11-19/h1-17H.
What are the key properties of 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine?
2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine has a molecular weight of 431.52 g/mol, XLogP of 7.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[(2-phenyl-1,8-naphthyridin-3-yl)oxy]thieno[3,2-b]pyridine is sourced from PubChem (CID 23156529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).