[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C19H20N6O — CID 95838332

IUPAC[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1
InChIInChI=1S/C19H20N6O/c1-2-17-22-9-11-25(17)18-13-21-12-15(23-18)16-4-3-10-24(16)19(26)14-5-7-20-8-6-14/h5-9,11-13,16H,2-4,10H2,1H3/t16-/m0/s1
InChIKeyXFCPKVYYKUCMFV-INIZCTEOSA-N
MW348.41 g/mol
LogP2.60
Rot. Bonds4

About [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 95838332) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID95838332
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1
InChIInChI=1S/C19H20N6O/c1-2-17-22-9-11-25(17)18-13-21-12-15(23-18)16-4-3-10-24(16)19(26)14-5-7-20-8-6-14/h5-9,11-13,16H,2-4,10H2,1H3/t16-/m0/s1
InChIKeyXFCPKVYYKUCMFV-INIZCTEOSA-N
XLogP2.60
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761
[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(2-methyl-1,3-oxazol-4-yl)methanone
CID 110267913
[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95815613
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
[(3S)-3-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95815602
[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95839151
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
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
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 95838332) is [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is CCc1nccn1-c1cncc([C@@H]2CCCN2C(=O)c2ccncc2)n1.
What is the InChIKey of [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is XFCPKVYYKUCMFV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N6O/c1-2-17-22-9-11-25(17)18-13-21-12-15(23-18)16-4-3-10-24(16)19(26)14-5-7-20-8-6-14/h5-9,11-13,16H,2-4,10H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 95838332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).