2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

C55H34Cl3F6N7O2S3 — CID 161258475

About 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide

2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 161258475) has the molecular formula C55H34Cl3F6N7O2S3 and a molecular weight of 1141.47 g/mol. Its IUPAC name is 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 161258475
• Molecular Formula: C55H34Cl3F6N7O2S3
• Molecular Weight: 1141.47 g/mol
• Exact Mass: 1139.09
• IUPAC Name: 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
• SMILES: Clc1cc(Cl)c2ccsc2n1.O=C(Cc1cccc(Nc2cc(Cl)nc3sccc23)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Nc2cc(-c3cccnc3)nc3sccc23)c1
• InChI: InChI=1S/C26H17F3N4OS.C22H14ClF3N2OS.C7H3Cl2NS/c27-26(28,29)18-6-2-8-20(13-18)32-24(34)16-4-1-7-19(12-16)31-23-14-22(17-5-3-10-30-15-17)33-25-21(23)9-11-35-25;23-20-12-18(17-7-8-30-21(17)28-20)27-16-6-1-3-13(9-16)10-19(29)14-4-2-5-15(11-14)22(24,25)26;8-5-3-6(9)10-7-4(5)1-2-11-7/h1-15H,(H,31,33)(H,32,34);1-9,11-12H,10H2,(H,27,28);1-3H
• InChIKey: VCFYOZOWBJCRFJ-UHFFFAOYSA-N
• XLogP: 18.11
• TPSA: 121.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.47
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The IUPAC name of 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 161258475) is 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide.

What is the SMILES notation for 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The canonical SMILES for 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is Clc1cc(Cl)c2ccsc2n1.O=C(Cc1cccc(Nc2cc(Cl)nc3sccc23)c1)c1cccc(C(F)(F)F)c1.O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(Nc2cc(-c3cccnc3)nc3sccc23)c1.

What is the InChIKey of 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

The InChIKey is VCFYOZOWBJCRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N4OS.C22H14ClF3N2OS.C7H3Cl2NS/c27-26(28,29)18-6-2-8-20(13-18)32-24(34)16-4-1-7-19(12-16)31-23-14-22(17-5-3-10-30-15-17)33-25-21(23)9-11-35-25;23-20-12-18(17-7-8-30-21(17)28-20)27-16-6-1-3-13(9-16)10-19(29)14-4-2-5-15(11-14)22(24,25)26;8-5-3-6(9)10-7-4(5)1-2-11-7/h1-15H,(H,31,33)(H,32,34);1-9,11-12H,10H2,(H,27,28);1-3H.

What are the key properties of 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide?

2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 1141.47 g/mol, XLogP of 18.11, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(6-chlorothieno[2,3-b]pyridin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4,6-dichlorothieno[2,3-b]pyridine;3-[(6-pyridin-3-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 161258475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).