2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile

C24H17N3O4 — CID 67356708

IUPAC2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(COc3cc4c(cc31)OCCO4)C(=O)N2Cc1ccccn1
InChIInChI=1S/C24H17N3O4/c25-12-15-4-5-19-17(9-15)24(23(28)27(19)13-16-3-1-2-6-26-16)14-31-20-11-22-21(10-18(20)24)29-7-8-30-22/h1-6,9-11H,7-8,13-14H2
InChIKeyPGLOIANKNPARSV-UHFFFAOYSA-N
MW411.42 g/mol
LogP2.95
Rot. Bonds2

About 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile

2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile (PubChem CID 67356708) has the molecular formula C24H17N3O4 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile.

Molecular Properties

Compound Name2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile
PubChem CID67356708
Molecular FormulaC24H17N3O4
Molecular Weight411.42 g/mol
Exact Mass411.12
IUPAC Name2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile
SMILESN#Cc1ccc2c(c1)C1(COc3cc4c(cc31)OCCO4)C(=O)N2Cc1ccccn1
InChIInChI=1S/C24H17N3O4/c25-12-15-4-5-19-17(9-15)24(23(28)27(19)13-16-3-1-2-6-26-16)14-31-20-11-22-21(10-18(20)24)29-7-8-30-22/h1-6,9-11H,7-8,13-14H2
InChIKeyPGLOIANKNPARSV-UHFFFAOYSA-N
XLogP2.95
TPSA84.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile?
The IUPAC name of 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile (CID 67356708) is 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile.
What is the SMILES notation for 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile?
The canonical SMILES for 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile is N#Cc1ccc2c(c1)C1(COc3cc4c(cc31)OCCO4)C(=O)N2Cc1ccccn1.
What is the InChIKey of 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile?
The InChIKey is PGLOIANKNPARSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O4/c25-12-15-4-5-19-17(9-15)24(23(28)27(19)13-16-3-1-2-6-26-16)14-31-20-11-22-21(10-18(20)24)29-7-8-30-22/h1-6,9-11H,7-8,13-14H2.
What are the key properties of 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile?
2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile has a molecular weight of 411.42 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-oxo-1'-(pyridin-2-ylmethyl)spiro[3,7-dihydro-2H-furo[2,3-g][1,4]benzodioxine-8,3'-indole]-5'-carbonitrile is sourced from PubChem (CID 67356708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).