1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione

C20H20N2O3 — CID 169258334

IUPAC1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
SMILESCOc1ccc(CN2C(=O)C3(CCC(=O)CC3)c3cccnc32)cc1
InChIInChI=1S/C20H20N2O3/c1-25-16-6-4-14(5-7-16)13-22-18-17(3-2-12-21-18)20(19(22)24)10-8-15(23)9-11-20/h2-7,12H,8-11,13H2,1H3
InChIKeyAHMWMTOEAUBRFJ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.02
Rot. Bonds3

About 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione

1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione (PubChem CID 169258334) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione.

Molecular Properties

Compound Name1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
PubChem CID169258334
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione
SMILESCOc1ccc(CN2C(=O)C3(CCC(=O)CC3)c3cccnc32)cc1
InChIInChI=1S/C20H20N2O3/c1-25-16-6-4-14(5-7-16)13-22-18-17(3-2-12-21-18)20(19(22)24)10-8-15(23)9-11-20/h2-7,12H,8-11,13H2,1H3
InChIKeyAHMWMTOEAUBRFJ-UHFFFAOYSA-N
XLogP3.02
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione 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 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?
The IUPAC name of 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione (CID 169258334) is 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione.
What is the SMILES notation for 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?
The canonical SMILES for 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione is COc1ccc(CN2C(=O)C3(CCC(=O)CC3)c3cccnc32)cc1.
What is the InChIKey of 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?
The InChIKey is AHMWMTOEAUBRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-16-6-4-14(5-7-16)13-22-18-17(3-2-12-21-18)20(19(22)24)10-8-15(23)9-11-20/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione?
1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione has a molecular weight of 336.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-methoxyphenyl)methyl]spiro[cyclohexane-4,3'-pyrrolo[2,3-b]pyridine]-1,2'-dione is sourced from PubChem (CID 169258334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).