[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone

C21H25N3O4 — CID 100757035

IUPAC[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C21H25N3O4/c1-26-18-19(23-11-10-22-18)28-17-7-12-24(15-17)20(25)21(8-13-27-14-9-21)16-5-3-2-4-6-16/h2-6,10-11,17H,7-9,12-15H2,1H3/t17-/m1/s1
InChIKeyGLDWSUOPCVBIIF-QGZVFWFLSA-N
MW383.45 g/mol
LogP2.21
Rot. Bonds5

About [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone

[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone (PubChem CID 100757035) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
PubChem CID100757035
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone
SMILESCOc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1
InChIInChI=1S/C21H25N3O4/c1-26-18-19(23-11-10-22-18)28-17-7-12-24(15-17)20(25)21(8-13-27-14-9-21)16-5-3-2-4-6-16/h2-6,10-11,17H,7-9,12-15H2,1H3/t17-/m1/s1
InChIKeyGLDWSUOPCVBIIF-QGZVFWFLSA-N
XLogP2.21
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3R)-1-(4-phenyloxane-4-carbonyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 100755061
(4-phenyloxan-4-yl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753527
(4-phenyloxan-4-yl)-[(3R)-3-propan-2-yloxypyrrolidin-1-yl]methanone
CID 138002316
(1-phenylcyclopropyl)-(3-pyridin-4-yloxypyrrolidin-1-yl)methanone
CID 71852474
[4-(4-methoxyphenyl)oxan-4-yl]-[(3S)-3-(3-phenoxypyrazin-2-yl)piperidin-1-yl]methanone
CID 129459227
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 90636850
[(3S)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 129454072
1-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 100756830
(4-phenyloxan-4-yl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121018084
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 90636998
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The IUPAC name of [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone (CID 100757035) is [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The canonical SMILES for [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone is COc1nccnc1O[C@@H]1CCN(C(=O)C2(c3ccccc3)CCOCC2)C1.
What is the InChIKey of [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
The InChIKey is GLDWSUOPCVBIIF-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-26-18-19(23-11-10-22-18)28-17-7-12-24(15-17)20(25)21(8-13-27-14-9-21)16-5-3-2-4-6-16/h2-6,10-11,17H,7-9,12-15H2,1H3/t17-/m1/s1.
What are the key properties of [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone?
[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone has a molecular weight of 383.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-phenyloxan-4-yl)methanone is sourced from PubChem (CID 100757035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).