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

C22H16F3N3O3 — CID 46833288

IUPAC5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H16F3N3O3/c1-30-18-9-8-17-19(27-18)21(12-31-17)14-5-2-3-7-16(14)28(20(21)29)11-15-13(22(23,24)25)6-4-10-26-15/h2-10H,11-12H2,1H3
InChIKeyCSZZBZZJRFCGLZ-UHFFFAOYSA-N
MW427.38 g/mol
LogP3.73
Rot. Bonds3

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

5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (PubChem CID 46833288) has the molecular formula C22H16F3N3O3 and a molecular weight of 427.38 g/mol. Its IUPAC name is 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
PubChem CID46833288
Molecular FormulaC22H16F3N3O3
Molecular Weight427.38 g/mol
Exact Mass427.11
IUPAC Name5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21
InChIInChI=1S/C22H16F3N3O3/c1-30-18-9-8-17-19(27-18)21(12-31-17)14-5-2-3-7-16(14)28(20(21)29)11-15-13(22(23,24)25)6-4-10-26-15/h2-10H,11-12H2,1H3
InChIKeyCSZZBZZJRFCGLZ-UHFFFAOYSA-N
XLogP3.73
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (CID 46833288) is 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is COc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ncccc2C(F)(F)F)c2ccccc21.
What is the InChIKey of 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is CSZZBZZJRFCGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O3/c1-30-18-9-8-17-19(27-18)21(12-31-17)14-5-2-3-7-16(14)28(20(21)29)11-15-13(22(23,24)25)6-4-10-26-15/h2-10H,11-12H2,1H3.
What are the key properties of 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 427.38 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 46833288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).