6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile

C23H13F4N3O2 — CID 59352188

IUPAC6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)OCC21C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H13F4N3O2/c24-17-9-20-16(8-13(17)10-28)22(12-32-20)15-4-1-2-6-19(15)30(21(22)31)11-18-14(23(25,26)27)5-3-7-29-18/h1-9H,11-12H2
InChIKeyMGUORPGEPGUEIR-UHFFFAOYSA-N
MW439.37 g/mol
LogP4.34
Rot. Bonds2

About 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile

6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile (PubChem CID 59352188) has the molecular formula C23H13F4N3O2 and a molecular weight of 439.37 g/mol. Its IUPAC name is 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
PubChem CID59352188
Molecular FormulaC23H13F4N3O2
Molecular Weight439.37 g/mol
Exact Mass439.09
IUPAC Name6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile
SMILESN#Cc1cc2c(cc1F)OCC21C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C23H13F4N3O2/c24-17-9-20-16(8-13(17)10-28)22(12-32-20)15-4-1-2-6-19(15)30(21(22)31)11-18-14(23(25,26)27)5-3-7-29-18/h1-9H,11-12H2
InChIKeyMGUORPGEPGUEIR-UHFFFAOYSA-N
XLogP4.34
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The IUPAC name of 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile (CID 59352188) is 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile is N#Cc1cc2c(cc1F)OCC21C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
The InChIKey is MGUORPGEPGUEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F4N3O2/c24-17-9-20-16(8-13(17)10-28)22(12-32-20)15-4-1-2-6-19(15)30(21(22)31)11-18-14(23(25,26)27)5-3-7-29-18/h1-9H,11-12H2.
What are the key properties of 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile?
6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile has a molecular weight of 439.37 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2'-oxo-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-1-benzofuran-3,3'-indole]-5-carbonitrile is sourced from PubChem (CID 59352188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).