6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile

C23H15ClF4N4O — CID 171850919

About 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile

6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile (PubChem CID 171850919) has the molecular formula C23H15ClF4N4O and a molecular weight of 474.85 g/mol. Its IUPAC name is 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
• PubChem CID: 171850919
• Molecular Formula: C23H15ClF4N4O
• Molecular Weight: 474.85 g/mol
• Exact Mass: 474.09
• IUPAC Name: 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile
• SMILES: N#Cc1cc(OCCc2ccc(C(F)(F)F)cc2)cc(Nc2cc(Cl)c3c(F)c[nH]c3c2)n1
• InChI: InChI=1S/C23H15ClF4N4O/c24-18-8-15(9-20-22(18)19(25)12-30-20)31-21-10-17(7-16(11-29)32-21)33-6-5-13-1-3-14(4-2-13)23(26,27)28/h1-4,7-10,12,30H,5-6H2,(H,31,32)
• InChIKey: RMDXSERYEXHDFE-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 73.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.85
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?

The IUPAC name of 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile (CID 171850919) is 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile.

What is the SMILES notation for 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?

The canonical SMILES for 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile is N#Cc1cc(OCCc2ccc(C(F)(F)F)cc2)cc(Nc2cc(Cl)c3c(F)c[nH]c3c2)n1.

What is the InChIKey of 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?

The InChIKey is RMDXSERYEXHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O/c24-18-8-15(9-20-22(18)19(25)12-30-20)31-21-10-17(7-16(11-29)32-21)33-6-5-13-1-3-14(4-2-13)23(26,27)28/h1-4,7-10,12,30H,5-6H2,(H,31,32).

What are the key properties of 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile?

6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile has a molecular weight of 474.85 g/mol, XLogP of 6.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4-chloro-3-fluoro-1H-indol-6-yl)amino]-4-[2-[4-(trifluoromethyl)phenyl]ethoxy]pyridine-2-carbonitrile is sourced from PubChem (CID 171850919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).