[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

C14H15N5O3 — CID 91626934

IUPAC[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1nccnc1OC1CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C14H15N5O3/c1-21-12-13(18-6-5-17-12)22-10-2-7-19(9-10)14(20)11-8-15-3-4-16-11/h3-6,8,10H,2,7,9H2,1H3
InChIKeyQSZQZRMLZGDDCC-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.57
Rot. Bonds4

About [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 91626934) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID91626934
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCOc1nccnc1OC1CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C14H15N5O3/c1-21-12-13(18-6-5-17-12)22-10-2-7-19(9-10)14(20)11-8-15-3-4-16-11/h3-6,8,10H,2,7,9H2,1H3
InChIKeyQSZQZRMLZGDDCC-UHFFFAOYSA-N
XLogP0.57
TPSA90.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]benzoate
CID 90636853
[(3S)-3-(cyclopropylmethoxy)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129492855
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 100756385
4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]cyclohexan-1-one
CID 90637078
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 100611568
[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(2-methyl-3-pyridinyl)methanone
CID 100612049
pyrazin-2-yl-[(3S)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
CID 95108044
N-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 100757200
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757149
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
[(3R)-3-(6-piperidin-1-ylpyrimidin-4-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95108089
[(1R)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]methanone
CID 100757122

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 91626934) is [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is COc1nccnc1OC1CCN(C(=O)c2cnccn2)C1.
What is the InChIKey of [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is QSZQZRMLZGDDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-21-12-13(18-6-5-17-12)22-10-2-7-19(9-10)14(20)11-8-15-3-4-16-11/h3-6,8,10H,2,7,9H2,1H3.
What are the key properties of [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 301.31 g/mol, XLogP of 0.57, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 91626934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).