2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C18H24N6O2 — CID 95838646

IUPAC2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2/c1-14-20-4-6-24(14)17-12-19-11-15(21-17)16-3-2-5-23(16)13-18(25)22-7-9-26-10-8-22/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3/t16-/m1/s1
InChIKeyVRQZUVLMUXKCAY-MRXNPFEDSA-N
MW356.43 g/mol
LogP0.97
Rot. Bonds4

About 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95838646) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95838646
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1
InChIInChI=1S/C18H24N6O2/c1-14-20-4-6-24(14)17-12-19-11-15(21-17)16-3-2-5-23(16)13-18(25)22-7-9-26-10-8-22/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3/t16-/m1/s1
InChIKeyVRQZUVLMUXKCAY-MRXNPFEDSA-N
XLogP0.97
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 95838647
1-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838461
2-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95839072
1-[4-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 95838733
1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95815815
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
1-[(3R)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 95838897
1-[3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267979
cyclopentyl-[3-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110253502
[(2S)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 95838530
2-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 94415366
cyclobutyl-[2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]methanone
CID 110267761

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 95838646) is 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is Cc1nccn1-c1cncc([C@H]2CCCN2CC(=O)N2CCOCC2)n1.
What is the InChIKey of 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is VRQZUVLMUXKCAY-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-14-20-4-6-24(14)17-12-19-11-15(21-17)16-3-2-5-23(16)13-18(25)22-7-9-26-10-8-22/h4,6,11-12,16H,2-3,5,7-10,13H2,1H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 356.43 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95838646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).