5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one

C21H17N3O3 — CID 25065329

IUPAC5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H17N3O3/c1-26-18-10-9-17-19(23-18)21(13-27-17)15-7-2-3-8-16(15)24(20(21)25)12-14-6-4-5-11-22-14/h2-11H,12-13H2,1H3
InChIKeySTGMCBXIWDWKNF-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.71
Rot. Bonds3

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

5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (PubChem CID 25065329) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.

Molecular Properties

Compound Name5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
PubChem CID25065329
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one
SMILESCOc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21
InChIInChI=1S/C21H17N3O3/c1-26-18-10-9-17-19(23-18)21(13-27-17)15-7-2-3-8-16(15)24(20(21)25)12-14-6-4-5-11-22-14/h2-11H,12-13H2,1H3
InChIKeySTGMCBXIWDWKNF-UHFFFAOYSA-N
XLogP2.71
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The IUPAC name of 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one (CID 25065329) is 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one.
What is the SMILES notation for 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The canonical SMILES for 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is COc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccccn2)c2ccccc21.
What is the InChIKey of 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
The InChIKey is STGMCBXIWDWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-18-10-9-17-19(23-18)21(13-27-17)15-7-2-3-8-16(15)24(20(21)25)12-14-6-4-5-11-22-14/h2-11H,12-13H2,1H3.
What are the key properties of 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one?
5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one has a molecular weight of 359.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-(pyridin-2-ylmethyl)spiro[2H-furo[3,2-b]pyridine-3,3'-indole]-2'-one is sourced from PubChem (CID 25065329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).