2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

C19H26N6O — CID 110267869

IUPAC2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nccn1-c1cncc(C2CCCN2CC(=O)N2CCCC2)n1
InChIInChI=1S/C19H26N6O/c1-2-17-21-7-11-25(17)18-13-20-12-15(22-18)16-6-5-10-24(16)14-19(26)23-8-3-4-9-23/h7,11-13,16H,2-6,8-10,14H2,1H3
InChIKeyDFCQBYOXPDXEPI-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 110267869) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID110267869
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCCc1nccn1-c1cncc(C2CCCN2CC(=O)N2CCCC2)n1
InChIInChI=1S/C19H26N6O/c1-2-17-21-7-11-25(17)18-13-20-12-15(22-18)16-6-5-10-24(16)14-19(26)23-8-3-4-9-23/h7,11-13,16H,2-6,8-10,14H2,1H3
InChIKeyDFCQBYOXPDXEPI-UHFFFAOYSA-N
XLogP1.98
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 110267869) is 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is CCc1nccn1-c1cncc(C2CCCN2CC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is DFCQBYOXPDXEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-2-17-21-7-11-25(17)18-13-20-12-15(22-18)16-6-5-10-24(16)14-19(26)23-8-3-4-9-23/h7,11-13,16H,2-6,8-10,14H2,1H3.
What are the key properties of 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 354.46 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110267869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).