1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

C21H23N5O3 — CID 90637868

IUPAC1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2cncc(N(C)C)n2)C1
InChIInChI=1S/C21H23N5O3/c1-13-19(15-6-4-5-7-16(15)23-13)20(27)21(28)26-9-8-14(12-26)29-18-11-22-10-17(24-18)25(2)3/h4-7,10-11,14,23H,8-9,12H2,1-3H3
InChIKeyKJSODCFHBOBZNX-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.19
Rot. Bonds5

About 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione

1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 90637868) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
PubChem CID90637868
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2cncc(N(C)C)n2)C1
InChIInChI=1S/C21H23N5O3/c1-13-19(15-6-4-5-7-16(15)23-13)20(27)21(28)26-9-8-14(12-26)29-18-11-22-10-17(24-18)25(2)3/h4-7,10-11,14,23H,8-9,12H2,1-3H3
InChIKeyKJSODCFHBOBZNX-UHFFFAOYSA-N
XLogP2.19
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 91627152
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
1-(2-methyl-1H-indol-3-yl)-2-(4-phthalazin-1-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90560341
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-4-phenylbutane-1,4-dione
CID 90637713
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-3,3,3-trifluoropropan-1-one
CID 90637953
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779
N-cycloheptyl-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxamide
CID 90638058
2-cyclohexyl-1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]ethanone
CID 90637761
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 91627088
(5S)-5-[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 100615889
[(3S)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 100617746

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione (CID 90637868) is 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCC(Oc2cncc(N(C)C)n2)C1.
What is the InChIKey of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is KJSODCFHBOBZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13-19(15-6-4-5-7-16(15)23-13)20(27)21(28)26-9-8-14(12-26)29-18-11-22-10-17(24-18)25(2)3/h4-7,10-11,14,23H,8-9,12H2,1-3H3.
What are the key properties of 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione?
1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 393.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-2-(2-methyl-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 90637868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).