(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

C19H26N4O5 — CID 100612118

IUPAC(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1
InChIInChI=1S/C19H26N4O5/c1-26-17-18(21-6-5-20-17)28-15-2-7-22(12-15)19(25)13-10-16(24)23(11-13)14-3-8-27-9-4-14/h5-6,13-15H,2-4,7-12H2,1H3/t13-,15-/m0/s1
InChIKeyHPQILTZJCIEDNR-ZFWWWQNUSA-N
MW390.44 g/mol
LogP0.49
Rot. Bonds5

About (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one

(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 100612118) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID100612118
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Name(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
SMILESCOc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1
InChIInChI=1S/C19H26N4O5/c1-26-17-18(21-6-5-20-17)28-15-2-7-22(12-15)19(25)13-10-16(24)23(11-13)14-3-8-27-9-4-14/h5-6,13-15H,2-4,7-12H2,1H3/t13-,15-/m0/s1
InChIKeyHPQILTZJCIEDNR-ZFWWWQNUSA-N
XLogP0.49
TPSA94.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]oxypyrazine-2-carbonitrile
CID 91628066
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
4-[3-(3-methoxypyrazin-2-yl)oxypiperidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 91628163
1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3-bromophenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636858
4-[3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 122259056
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757116
3,4-dihydro-1H-isochromen-3-yl-[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 91626972
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
4-[4-[cyclopropyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one
CID 126890430
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one (CID 100612118) is (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is COc1nccnc1O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1.
What is the InChIKey of (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is HPQILTZJCIEDNR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-26-17-18(21-6-5-20-17)28-15-2-7-22(12-15)19(25)13-10-16(24)23(11-13)14-3-8-27-9-4-14/h5-6,13-15H,2-4,7-12H2,1H3/t13-,15-/m0/s1.
What are the key properties of (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one?
(4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 390.44 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 100612118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).