[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone

C23H21N3O4 — CID 90636850

IUPAC[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCOc1nccnc1OC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C23H21N3O4/c1-29-21-22(25-13-12-24-21)30-17-11-14-26(15-17)23(28)19-10-6-5-9-18(19)20(27)16-7-3-2-4-8-16/h2-10,12-13,17H,11,14-15H2,1H3
InChIKeyNTHIGYBFWLWLII-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.01
Rot. Bonds6

About [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone

[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone (PubChem CID 90636850) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
PubChem CID90636850
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone
SMILESCOc1nccnc1OC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1
InChIInChI=1S/C23H21N3O4/c1-29-21-22(25-13-12-24-21)30-17-11-14-26(15-17)23(28)19-10-6-5-9-18(19)20(27)16-7-3-2-4-8-16/h2-10,12-13,17H,11,14-15H2,1H3
InChIKeyNTHIGYBFWLWLII-UHFFFAOYSA-N
XLogP3.01
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
3-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756452
3-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 100756457
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 90636828
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90636845
N-benzhydryl-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637150
(2-chloro-4-fluorophenyl)-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100756942
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237
phenyl-[2-[3-[[4-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidine-1-carbonyl]phenyl]methanone
CID 91625422
[(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 [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The IUPAC name of [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone (CID 90636850) is [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone.
What is the SMILES notation for [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The canonical SMILES for [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone is COc1nccnc1OC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1.
What is the InChIKey of [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
The InChIKey is NTHIGYBFWLWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-21-22(25-13-12-24-21)30-17-11-14-26(15-17)23(28)19-10-6-5-9-18(19)20(27)16-7-3-2-4-8-16/h2-10,12-13,17H,11,14-15H2,1H3.
What are the key properties of [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone?
[2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone has a molecular weight of 403.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]phenyl]-phenylmethanone is sourced from PubChem (CID 90636850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).