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

C18H23N5O — CID 110267761

IUPACcyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nccn1-c1cncc(C2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C18H23N5O/c1-2-16-20-8-10-23(16)17-12-19-11-14(21-17)15-7-4-9-22(15)18(24)13-5-3-6-13/h8,10-13,15H,2-7,9H2,1H3
InChIKeyCOUBDIINZXXIRW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.69
Rot. Bonds4

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

cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 110267761) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
PubChem CID110267761
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Namecyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
SMILESCCc1nccn1-c1cncc(C2CCCN2C(=O)C2CCC2)n1
InChIInChI=1S/C18H23N5O/c1-2-16-20-8-10-23(16)17-12-19-11-14(21-17)15-7-4-9-22(15)18(24)13-5-3-6-13/h8,10-13,15H,2-7,9H2,1H3
InChIKeyCOUBDIINZXXIRW-UHFFFAOYSA-N
XLogP2.69
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
cyclopentyl-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 95815658
2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
2-(2-ethylimidazol-1-yl)-6-[(2R)-1-[(4-fluorophenyl)methyl]pyrrolidin-2-yl]pyrazine
CID 95838571
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838557
1-[2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110268084
cyclobutyl-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 95838423

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone (CID 110267761) is cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is CCc1nccn1-c1cncc(C2CCCN2C(=O)C2CCC2)n1.
What is the InChIKey of cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is COUBDIINZXXIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-16-20-8-10-23(16)17-12-19-11-14(21-17)15-7-4-9-22(15)18(24)13-5-3-6-13/h8,10-13,15H,2-7,9H2,1H3.
What are the key properties of cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone?
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110267761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).