2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C19H26N6O2 — CID 95838647

IUPAC2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2/c1-2-17-21-5-7-25(17)18-13-20-12-15(22-18)16-4-3-6-24(16)14-19(26)23-8-10-27-11-9-23/h5,7,12-13,16H,2-4,6,8-11,14H2,1H3/t16-/m0/s1
InChIKeyQXIUACGNLYDOHC-INIZCTEOSA-N
MW370.46 g/mol
LogP1.22
Rot. Bonds5

About 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95838647) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95838647
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C19H26N6O2/c1-2-17-21-5-7-25(17)18-13-20-12-15(22-18)16-4-3-6-24(16)14-19(26)23-8-10-27-11-9-23/h5,7,12-13,16H,2-4,6,8-11,14H2,1H3/t16-/m0/s1
InChIKeyQXIUACGNLYDOHC-INIZCTEOSA-N
XLogP1.22
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 95838647) is 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is CCc1nccn1-c1cncc([C@@H]2CCCN2CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is QXIUACGNLYDOHC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-2-17-21-5-7-25(17)18-13-20-12-15(22-18)16-4-3-6-24(16)14-19(26)23-8-10-27-11-9-23/h5,7,12-13,16H,2-4,6,8-11,14H2,1H3/t16-/m0/s1.
What are the key properties of 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 370.46 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).