1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one

C24H16F3N3O2 — CID 46195854

IUPAC1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)16-6-2-1-5-14(16)12-30-20-8-4-3-7-17(20)23(22(30)31)13-32-21-10-19-15(9-18(21)23)11-28-29-19/h1-11H,12-13H2,(H,28,29)
InChIKeyAYBJBZPEWZQTPS-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.81
Rot. Bonds2

About 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one

1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one (PubChem CID 46195854) has the molecular formula C24H16F3N3O2 and a molecular weight of 435.41 g/mol. Its IUPAC name is 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
PubChem CID46195854
Molecular FormulaC24H16F3N3O2
Molecular Weight435.41 g/mol
Exact Mass435.12
IUPAC Name1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12
InChIInChI=1S/C24H16F3N3O2/c25-24(26,27)16-6-2-1-5-14(16)12-30-20-8-4-3-7-17(20)23(22(30)31)13-32-21-10-19-15(9-18(21)23)11-28-29-19/h1-11H,12-13H2,(H,28,29)
InChIKeyAYBJBZPEWZQTPS-UHFFFAOYSA-N
XLogP4.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The IUPAC name of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one (CID 46195854) is 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The canonical SMILES for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one is O=C1N(Cc2ccccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12.
What is the InChIKey of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The InChIKey is AYBJBZPEWZQTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O2/c25-24(26,27)16-6-2-1-5-14(16)12-30-20-8-4-3-7-17(20)23(22(30)31)13-32-21-10-19-15(9-18(21)23)11-28-29-19/h1-11H,12-13H2,(H,28,29).
What are the key properties of 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one has a molecular weight of 435.41 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[2-(trifluoromethyl)phenyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one is sourced from PubChem (CID 46195854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).