6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione

C20H20N4O3 — CID 113201855

IUPAC6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cccc(N2CCN(C(=O)CN3C(=O)c4cccnc4C3=O)CC2)c1
InChIInChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)22-8-10-23(11-9-22)17(25)13-24-19(26)16-6-3-7-21-18(16)20(24)27/h2-7,12H,8-11,13H2,1H3
InChIKeyDEEDYHKVFDENTC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.33
Rot. Bonds3

About 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione

6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione (PubChem CID 113201855) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
PubChem CID113201855
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
SMILESCc1cccc(N2CCN(C(=O)CN3C(=O)c4cccnc4C3=O)CC2)c1
InChIInChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)22-8-10-23(11-9-22)17(25)13-24-19(26)16-6-3-7-21-18(16)20(24)27/h2-7,12H,8-11,13H2,1H3
InChIKeyDEEDYHKVFDENTC-UHFFFAOYSA-N
XLogP1.33
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 113201858
2-imidazol-1-yl-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110854224
(3-ethyl-2-pyridinyl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 136519004
5-bromo-2-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 25398344
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
ethyl 2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetate
CID 15744738
2-amino-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837589
5-bromo-2-[4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 25398346
6-cyclopropyl-2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122278600
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(1,3-thiazol-4-yl)ethanone
CID 110854166
2-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-6-pyridin-3-ylpyridazin-3-one
CID 121052540
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The IUPAC name of 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione (CID 113201855) is 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione is Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccnc4C3=O)CC2)c1.
What is the InChIKey of 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
The InChIKey is DEEDYHKVFDENTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14-4-2-5-15(12-14)22-8-10-23(11-9-22)17(25)13-24-19(26)16-6-3-7-21-18(16)20(24)27/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione?
6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione has a molecular weight of 364.41 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]pyrrolo[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 113201855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).