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

C23H15F3N4O2 — CID 46195988

IUPAC1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-18(14)11-30-19-6-2-1-4-15(19)22(21(30)31)12-32-20-9-17-13(8-16(20)22)10-28-29-17/h1-10H,11-12H2,(H,28,29)
InChIKeyJPFDEYHJEQMBAU-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.20
Rot. Bonds2

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

1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one (PubChem CID 46195988) has the molecular formula C23H15F3N4O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
PubChem CID46195988
Molecular FormulaC23H15F3N4O2
Molecular Weight436.39 g/mol
Exact Mass436.11
IUPAC Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12
InChIInChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-18(14)11-30-19-6-2-1-4-15(19)22(21(30)31)12-32-20-9-17-13(8-16(20)22)10-28-29-17/h1-10H,11-12H2,(H,28,29)
InChIKeyJPFDEYHJEQMBAU-UHFFFAOYSA-N
XLogP4.20
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The IUPAC name of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one (CID 46195988) is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The canonical SMILES for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one is O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3[nH]ncc3cc12.
What is the InChIKey of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
The InChIKey is JPFDEYHJEQMBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N4O2/c24-23(25,26)14-5-3-7-27-18(14)11-30-19-6-2-1-4-15(19)22(21(30)31)12-32-20-9-17-13(8-16(20)22)10-28-29-17/h1-10H,11-12H2,(H,28,29).
What are the key properties of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one?
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one has a molecular weight of 436.39 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[1,6-dihydrofuro[3,2-f]indazole-5,3'-indole]-2'-one is sourced from PubChem (CID 46195988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).