[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

C15H15FN6O — CID 97457901

IUPAC[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1
InChIInChI=1S/C15H15FN6O/c16-12-3-19-15(20-4-12)22-8-10-6-21(7-11(10)9-22)14(23)13-5-17-1-2-18-13/h1-5,10-11H,6-9H2/t10-,11+
InChIKeyPWYQFEJRQBRJAE-PHIMTYICSA-N
MW314.32 g/mol
LogP0.61
Rot. Bonds2

About [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone

[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (PubChem CID 97457901) has the molecular formula C15H15FN6O and a molecular weight of 314.32 g/mol. Its IUPAC name is [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
PubChem CID97457901
Molecular FormulaC15H15FN6O
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1
InChIInChI=1S/C15H15FN6O/c16-12-3-19-15(20-4-12)22-8-10-6-21(7-11(10)9-22)14(23)13-5-17-1-2-18-13/h1-5,10-11H,6-9H2/t10-,11+
InChIKeyPWYQFEJRQBRJAE-PHIMTYICSA-N
XLogP0.61
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

US10906888, Example 127
CID 146186432
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]pyrazine-2-carboxamide
CID 91923130
[2-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-pyrazin-2-ylmethanone
CID 97449628
[2-(5-Fluoropyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 155902663
US10906888, Example 123
CID 145441209
[8-(5-Fluoropyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 97449482
(3-((5-Fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)(pyrazin-2-yl)methanone
CID 119100402
[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
CID 124788310
[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129355597
[(3R)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129355598
7-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 134072177
Imidazo[1,2-a]pyrimidin-2-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 136567002

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone (CID 97457901) is [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1.
What is the InChIKey of [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
The InChIKey is PWYQFEJRQBRJAE-PHIMTYICSA-N. The full InChI is InChI=1S/C15H15FN6O/c16-12-3-19-15(20-4-12)22-8-10-6-21(7-11(10)9-22)14(23)13-5-17-1-2-18-13/h1-5,10-11H,6-9H2/t10-,11+.
What are the key properties of [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone?
[(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone has a molecular weight of 314.32 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-2-(5-fluoropyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97457901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).