3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

C17H24N6O — CID 118739954

IUPAC3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC1c1cncc(NC)n1
InChIInChI=1S/C17H24N6O/c1-3-16-20-7-10-22(16)9-6-17(24)23-8-4-5-14(23)13-11-19-12-15(18-2)21-13/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyGVUYIJSSKZDZHE-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.03
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 118739954) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID118739954
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCCC1c1cncc(NC)n1
InChIInChI=1S/C17H24N6O/c1-3-16-20-7-10-22(16)9-6-17(24)23-8-4-5-14(23)13-11-19-12-15(18-2)21-13/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,18,21)
InChIKeyGVUYIJSSKZDZHE-UHFFFAOYSA-N
XLogP2.03
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 118739954) is 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCCC1c1cncc(NC)n1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is GVUYIJSSKZDZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-16-20-7-10-22(16)9-6-17(24)23-8-4-5-14(23)13-11-19-12-15(18-2)21-13/h7,10-12,14H,3-6,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118739954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).