(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

C16H19FN4O3 — CID 131687089

IUPAC(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1
InChIInChI=1S/C16H19FN4O3/c17-16(2-3-16)15(23)21-6-1-10-7-11(24-12(10)9-21)14(22)20-13-8-18-4-5-19-13/h4-5,8,10-12H,1-3,6-7,9H2,(H,19,20,22)/t10-,11-,12+/m0/s1
InChIKeyYXRYFODDUXWZGB-SDDRHHMPSA-N
MW334.35 g/mol
LogP0.92
Rot. Bonds3

About (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide

(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 131687089) has the molecular formula C16H19FN4O3 and a molecular weight of 334.35 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID131687089
Molecular FormulaC16H19FN4O3
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
SMILESO=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1
InChIInChI=1S/C16H19FN4O3/c17-16(2-3-16)15(23)21-6-1-10-7-11(24-12(10)9-21)14(22)20-13-8-18-4-5-19-13/h4-5,8,10-12H,1-3,6-7,9H2,(H,19,20,22)/t10-,11-,12+/m0/s1
InChIKeyYXRYFODDUXWZGB-SDDRHHMPSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 131687089) is (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is O=C(Nc1cnccn1)[C@@H]1C[C@@H]2CCN(C(=O)C3(F)CC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YXRYFODDUXWZGB-SDDRHHMPSA-N. The full InChI is InChI=1S/C16H19FN4O3/c17-16(2-3-16)15(23)21-6-1-10-7-11(24-12(10)9-21)14(22)20-13-8-18-4-5-19-13/h4-5,8,10-12H,1-3,6-7,9H2,(H,19,20,22)/t10-,11-,12+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,7aS)-6-(1-fluorocyclopropanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 131687089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).