6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one

C20H23N3O3 — CID 125462040

IUPAC6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCOc1ccc(CN2C(=O)c3cccnc3C23CCNCC3)c(OC)c1
InChIInChI=1S/C20H23N3O3/c1-25-15-6-5-14(17(12-15)26-2)13-23-19(24)16-4-3-9-22-18(16)20(23)7-10-21-11-8-20/h3-6,9,12,21H,7-8,10-11,13H2,1-2H3
InChIKeyJHXJUVBMZQGICD-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.33
Rot. Bonds4

About 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one

6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one (PubChem CID 125462040) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one.

Molecular Properties

Compound Name6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
PubChem CID125462040
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
SMILESCOc1ccc(CN2C(=O)c3cccnc3C23CCNCC3)c(OC)c1
InChIInChI=1S/C20H23N3O3/c1-25-15-6-5-14(17(12-15)26-2)13-23-19(24)16-4-3-9-22-18(16)20(23)7-10-21-11-8-20/h3-6,9,12,21H,7-8,10-11,13H2,1-2H3
InChIKeyJHXJUVBMZQGICD-UHFFFAOYSA-N
XLogP2.33
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one with MolForge

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Related Compounds

8-[(2,4-dimethoxyphenyl)methyl]-5,7-dihydropyrazino[2,3-e][1,4]diazepine-6,9-dione
CID 102119190
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120927526
8-bromo-6-[(2,4-dimethoxyphenyl)methyl]-1,6-naphthyridin-5-one
CID 162772120
(1S,5S)-3-[(2,4-dimethoxyphenyl)methyl]-9-(3-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064046
1'-[(2,4-dimethoxyphenyl)methyl]-8-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 42875635
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63363044
3-[(2,4-dimethoxyphenyl)methyl]-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 3808644
6-(2,4-dimethoxyphenyl)pyrrolo[3,4-b]pyridine-5,7-dione
CID 3576682
N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119705250
2-N-[(2,4-dimethoxyphenyl)methyl]-3-N-methyl-3-N-piperidin-4-ylpyridine-2,3-diamine
CID 174573113
5-amino-1-[(2,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484405
1-[(2,4-dimethoxyphenyl)methyl]pyrrole
CID 63363175

Frequently Asked Questions

What is the IUPAC name of 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The IUPAC name of 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one (CID 125462040) is 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one.
What is the SMILES notation for 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The canonical SMILES for 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one is COc1ccc(CN2C(=O)c3cccnc3C23CCNCC3)c(OC)c1.
What is the InChIKey of 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one?
The InChIKey is JHXJUVBMZQGICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-15-6-5-14(17(12-15)26-2)13-23-19(24)16-4-3-9-22-18(16)20(23)7-10-21-11-8-20/h3-6,9,12,21H,7-8,10-11,13H2,1-2H3.
What are the key properties of 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one?
6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one has a molecular weight of 353.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[(2,4-dimethoxyphenyl)methyl]spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one is sourced from PubChem (CID 125462040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).