4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one

C25H17F3N2O5 — CID 25064917

IUPAC4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(-c3ccoc3)c21
InChIInChI=1S/C25H17F3N2O5/c1-32-20-8-6-18-22(29-20)24(13-34-18)21-16(14-9-10-33-12-14)3-2-4-17(21)30(23(24)31)11-15-5-7-19(35-15)25(26,27)28/h2-10,12H,11,13H2,1H3
InChIKeyZZMVUMDGOMWVSB-UHFFFAOYSA-N
MW482.41 g/mol
LogP5.19
Rot. Bonds4

About 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one

4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (PubChem CID 25064917) has the molecular formula C25H17F3N2O5 and a molecular weight of 482.41 g/mol. Its IUPAC name is 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
PubChem CID25064917
Molecular FormulaC25H17F3N2O5
Molecular Weight482.41 g/mol
Exact Mass482.11
IUPAC Name4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(-c3ccoc3)c21
InChIInChI=1S/C25H17F3N2O5/c1-32-20-8-6-18-22(29-20)24(13-34-18)21-16(14-9-10-33-12-14)3-2-4-17(21)30(23(24)31)11-15-5-7-19(35-15)25(26,27)28/h2-10,12H,11,13H2,1H3
InChIKeyZZMVUMDGOMWVSB-UHFFFAOYSA-N
XLogP5.19
TPSA77.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-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 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (CID 25064917) is 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is COc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc(C(F)(F)F)o2)c2cccc(-c3ccoc3)c21.
What is the InChIKey of 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is ZZMVUMDGOMWVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O5/c1-32-20-8-6-18-22(29-20)24(13-34-18)21-16(14-9-10-33-12-14)3-2-4-17(21)30(23(24)31)11-15-5-7-19(35-15)25(26,27)28/h2-10,12H,11,13H2,1H3.
What are the key properties of 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 482.41 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-(furan-3-yl)-5-methoxy-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 25064917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).