[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

C18H20N4O3 — CID 124790727

IUPAC[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@H]2[C@@H](CCOc3cccnc3)CO[C@H]2C1
InChIInChI=1S/C18H20N4O3/c23-18(16-9-20-5-6-21-16)22-10-15-13(12-25-17(15)11-22)3-7-24-14-2-1-4-19-8-14/h1-2,4-6,8-9,13,15,17H,3,7,10-12H2/t13-,15-,17-/m0/s1
InChIKeyDWTPAGFDSMERTJ-QRTARXTBSA-N
MW340.38 g/mol
LogP1.43
Rot. Bonds5

About [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 124790727) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
PubChem CID124790727
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@H]2[C@@H](CCOc3cccnc3)CO[C@H]2C1
InChIInChI=1S/C18H20N4O3/c23-18(16-9-20-5-6-21-16)22-10-15-13(12-25-17(15)11-22)3-7-24-14-2-1-4-19-8-14/h1-2,4-6,8-9,13,15,17H,3,7,10-12H2/t13-,15-,17-/m0/s1
InChIKeyDWTPAGFDSMERTJ-QRTARXTBSA-N
XLogP1.43
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[(3R,3aR,6aR)-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124893526
[4-(2-phenoxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 53150710
6-[2-[(3S,3aS,6aS)-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]ethoxy]pyridine-3-carbonitrile
CID 124784620
[(3S,3aS,6aS)-3-(2-pyridin-2-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone
CID 133142960
(3-ethyl-4-hydroxypyrrolidin-1-yl)-pyrazin-2-ylmethanone
CID 136518326
[(4aR,7aR)-4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl]-pyrazin-2-ylmethanone
CID 98793047
[(3aR,4R,6aS)-4-pyridin-3-yloxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-pyridin-2-ylmethanone
CID 110131221
[5-methyl-7-(pyridin-3-yloxymethyl)-2,5-diazaspiro[3.4]octan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155866543
[4a-(pyridin-3-yloxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-6-yl]-pyrazin-2-ylmethanone
CID 134074553
(3R,3aR,6aR)-3-(2-methoxyethyl)-5-(pyridin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 171693321
pyrazin-2-yl-(2-pyridin-3-yloxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 97451301
[(3R,3aR,6aR)-3-(2-pyridin-2-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-(2-methylpyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155844766

Frequently Asked Questions

What is the IUPAC name of [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (CID 124790727) is [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1C[C@H]2[C@@H](CCOc3cccnc3)CO[C@H]2C1.
What is the InChIKey of [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is DWTPAGFDSMERTJ-QRTARXTBSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-18(16-9-20-5-6-21-16)22-10-15-13(12-25-17(15)11-22)3-7-24-14-2-1-4-19-8-14/h1-2,4-6,8-9,13,15,17H,3,7,10-12H2/t13-,15-,17-/m0/s1.
What are the key properties of [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
[(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 340.38 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,3aR,6aR)-3-(2-pyridin-3-yloxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 124790727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).