1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one

C25H19F3N2O3 — CID 59352657

IUPAC1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCCC3
InChIInChI=1S/C25H19F3N2O3/c26-25(27,28)16-7-3-9-29-19(16)13-30-20-8-2-1-6-17(20)24(23(30)31)14-33-22-11-15-5-4-10-32-21(15)12-18(22)24/h1-3,6-9,11-12H,4-5,10,13-14H2
InChIKeyBCVFLTDGYVLICW-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.65
Rot. Bonds2

About 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one

1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one (PubChem CID 59352657) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one
PubChem CID59352657
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC Name1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one
SMILESO=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCCC3
InChIInChI=1S/C25H19F3N2O3/c26-25(27,28)16-7-3-9-29-19(16)13-30-20-8-2-1-6-17(20)24(23(30)31)14-33-22-11-15-5-4-10-32-21(15)12-18(22)24/h1-3,6-9,11-12H,4-5,10,13-14H2
InChIKeyBCVFLTDGYVLICW-UHFFFAOYSA-N
XLogP4.65
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one?
The IUPAC name of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one (CID 59352657) is 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one.
What is the SMILES notation for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one?
The canonical SMILES for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one is O=C1N(Cc2ncccc2C(F)(F)F)c2ccccc2C12COc1cc3c(cc12)OCCC3.
What is the InChIKey of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one?
The InChIKey is BCVFLTDGYVLICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c26-25(27,28)16-7-3-9-29-19(16)13-30-20-8-2-1-6-17(20)24(23(30)31)14-33-22-11-15-5-4-10-32-21(15)12-18(22)24/h1-3,6-9,11-12H,4-5,10,13-14H2.
What are the key properties of 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one?
1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one has a molecular weight of 452.43 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2,6,7,8-tetrahydrofuro[2,3-g]chromene-3,3'-indole]-2'-one is sourced from PubChem (CID 59352657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).