[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C18H23N5O5S — CID 110196990

IUPAC[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cnc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N5O5S/c1-21-12-17(20-13-21)29(25,26)23-11-15(28-14-3-2-4-19-10-14)9-16(23)18(24)22-5-7-27-8-6-22/h2-4,10,12-13,15-16H,5-9,11H2,1H3/t15-,16+/m0/s1
InChIKeyMCHUWQUFBXOKRT-JKSUJKDBSA-N
MW421.48 g/mol
LogP-0.12
Rot. Bonds5

About [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110196990) has the molecular formula C18H23N5O5S and a molecular weight of 421.48 g/mol. Its IUPAC name is [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110196990
Molecular FormulaC18H23N5O5S
Molecular Weight421.48 g/mol
Exact Mass421.14
IUPAC Name[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCn1cnc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N5O5S/c1-21-12-17(20-13-21)29(25,26)23-11-15(28-14-3-2-4-19-10-14)9-16(23)18(24)22-5-7-27-8-6-22/h2-4,10,12-13,15-16H,5-9,11H2,1H3/t15-,16+/m0/s1
InChIKeyMCHUWQUFBXOKRT-JKSUJKDBSA-N
XLogP-0.12
TPSA106.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(2R,4S)-1-(benzenesulfonyl)-4-phenoxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196831
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198684
[(2S,4S)-1-(benzenesulfonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198960
[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
CID 110198675
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
[(2S,4S)-1-[(2-fluorophenyl)methylsulfonyl]-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198972
[(2S,4S)-1-(4-methoxybenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198878
(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
CID 110198215
1-[(2R,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]propan-1-one
CID 110196874

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110196990) is [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is Cn1cnc(S(=O)(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1.
What is the InChIKey of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is MCHUWQUFBXOKRT-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H23N5O5S/c1-21-12-17(20-13-21)29(25,26)23-11-15(28-14-3-2-4-19-10-14)9-16(23)18(24)22-5-7-27-8-6-22/h2-4,10,12-13,15-16H,5-9,11H2,1H3/t15-,16+/m0/s1.
What are the key properties of [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 421.48 g/mol, XLogP of -0.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110196990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).