2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C21H26N4O4 — CID 129277601

IUPAC2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOCCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1
InChIInChI=1S/C21H26N4O4/c1-14-11-17-18(13-23-21(17)26)24-20(14)25-7-5-15(6-8-25)29-16-3-4-19(22-12-16)28-10-9-27-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,26)
InChIKeyXACOMZIPDLLJOI-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.10
Rot. Bonds7

About 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277601) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277601
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOCCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1
InChIInChI=1S/C21H26N4O4/c1-14-11-17-18(13-23-21(17)26)24-20(14)25-7-5-15(6-8-25)29-16-3-4-19(22-12-16)28-10-9-27-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,26)
InChIKeyXACOMZIPDLLJOI-UHFFFAOYSA-N
XLogP2.10
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
2-[4-[[6-(2-hydroxyethylamino)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277628
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559
3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277839
3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278259
2-[4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277802
2-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-4-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 129277787
2-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277820
2-[4-(1-ethylpyrazol-4-yl)oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277930
2-[4-[1-(2-hydroxyethyl)-3-methylindazol-5-yl]oxypiperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277639

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277601) is 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COCCOc1ccc(OC2CCN(c3nc4c(cc3C)C(=O)NC4)CC2)cn1.
What is the InChIKey of 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is XACOMZIPDLLJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14-11-17-18(13-23-21(17)26)24-20(14)25-7-5-15(6-8-25)29-16-3-4-19(22-12-16)28-10-9-27-2/h3-4,11-12,15H,5-10,13H2,1-2H3,(H,23,26).
What are the key properties of 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 398.46 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(2-methoxyethoxy)-3-pyridinyl]oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).