N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

C16H19FN4O3 — CID 131683226

IUPACN-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CN(C(=O)C2(F)CC2)[C@H]2CCCO[C@@H]12)c1cnccn1
InChIInChI=1S/C16H19FN4O3/c17-16(3-4-16)15(23)21-9-11(13-12(21)2-1-7-24-13)20-14(22)10-8-18-5-6-19-10/h5-6,8,11-13H,1-4,7,9H2,(H,20,22)/t11-,12-,13-/m0/s1
InChIKeyXWHFXGJDWJYICF-AVGNSLFASA-N
MW334.35 g/mol
LogP0.47
Rot. Bonds3

About N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide

N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (PubChem CID 131683226) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
PubChem CID131683226
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@H]1CN(C(=O)C2(F)CC2)[C@H]2CCCO[C@@H]12)c1cnccn1
InChIInChI=1S/C16H19FN4O3/c17-16(3-4-16)15(23)21-9-11(13-12(21)2-1-7-24-13)20-14(22)10-8-18-5-6-19-10/h5-6,8,11-13H,1-4,7,9H2,(H,20,22)/t11-,12-,13-/m0/s1
InChIKeyXWHFXGJDWJYICF-AVGNSLFASA-N
XLogP0.47
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide with MolForge

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Related Compounds

2-[(3aR,7S,7aS)-2-(pyrazine-2-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(2-methoxyethyl)acetamide
CID 97379916
[(7R,8aS)-7-(2-methoxyethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
CID 97458316
[(3aS,5S,7aS)-5-(ethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyrazin-2-ylmethanone
CID 97460555
[(3aS,5R,7aS)-5-(ethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-pyrazin-2-ylmethanone
CID 97461132
N-[(3R,3aR,7aS)-1-(5-methylpyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
CID 97461335
[(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
CID 98777093
[(3S,3aR,7aS)-3-morpholin-4-yl-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 98777417
N-[(3R,3aS,7aR)-1-(pyrazine-2-carbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]methanesulfonamide
CID 98777427
Rel-N-((3R,3Ar,7As)-Octahydropyrano[3,2-B]Pyrrol-3-Yl)Pyrazine-2-Carboxamide
CID 124233981
N-[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-N-(oxolan-2-ylmethyl)pyrazine-2-carboxamide
CID 4575007
N-1-oxa-8-azaspiro[4.5]dec-3-ylpyrazine-2-carboxamide
CID 77080599
N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide;hydrochloride
CID 127021158

Frequently Asked Questions

What is the IUPAC name of N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide (CID 131683226) is N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is O=C(N[C@H]1CN(C(=O)C2(F)CC2)[C@H]2CCCO[C@@H]12)c1cnccn1.
What is the InChIKey of N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
The InChIKey is XWHFXGJDWJYICF-AVGNSLFASA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-16(3-4-16)15(23)21-9-11(13-12(21)2-1-7-24-13)20-14(22)10-8-18-5-6-19-10/h5-6,8,11-13H,1-4,7,9H2,(H,20,22)/t11-,12-,13-/m0/s1.
What are the key properties of N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide?
N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,3aS,7aS)-1-(1-fluorocyclopropanecarbonyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 131683226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).