7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one

C26H26N2O3 — CID 56967592

IUPAC7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-4-30-19-11-12-21-23(14-19)31-25(2,3)17-26(21)20-9-5-6-10-22(20)28(24(26)29)16-18-8-7-13-27-15-18/h5-15H,4,16-17H2,1-3H3
InChIKeyBASTVGGZMNPILS-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.87
Rot. Bonds4

About 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one

7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one (PubChem CID 56967592) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one.

Molecular Properties

Compound Name7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one
PubChem CID56967592
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one
SMILESCCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2cccnc2)c2ccccc21
InChIInChI=1S/C26H26N2O3/c1-4-30-19-11-12-21-23(14-19)31-25(2,3)17-26(21)20-9-5-6-10-22(20)28(24(26)29)16-18-8-7-13-27-15-18/h5-15H,4,16-17H2,1-3H3
InChIKeyBASTVGGZMNPILS-UHFFFAOYSA-N
XLogP4.87
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-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 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one?
The IUPAC name of 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one (CID 56967592) is 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one.
What is the SMILES notation for 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one?
The canonical SMILES for 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one is CCOc1ccc2c(c1)OC(C)(C)CC21C(=O)N(Cc2cccnc2)c2ccccc21.
What is the InChIKey of 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one?
The InChIKey is BASTVGGZMNPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-4-30-19-11-12-21-23(14-19)31-25(2,3)17-26(21)20-9-5-6-10-22(20)28(24(26)29)16-18-8-7-13-27-15-18/h5-15H,4,16-17H2,1-3H3.
What are the key properties of 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one?
7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one has a molecular weight of 414.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-2,2-dimethyl-1'-(pyridin-3-ylmethyl)spiro[3H-chromene-4,3'-indole]-2'-one is sourced from PubChem (CID 56967592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).