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

C17H20F2N4O3 — CID 131686720

IUPAC(2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-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)C3CC(F)(F)C3)C[C@H]2O1
InChIInChI=1S/C17H20F2N4O3/c18-17(19)6-11(7-17)16(25)23-4-1-10-5-12(26-13(10)9-23)15(24)22-14-8-20-2-3-21-14/h2-3,8,10-13H,1,4-7,9H2,(H,21,22,24)/t10-,12-,13+/m0/s1
InChIKeyWSVYYYXKCRZVHK-WCFLWFBJSA-N
MW366.37 g/mol
LogP1.47
Rot. Bonds3

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

(2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 131686720) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-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-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID131686720
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name(2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-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)C3CC(F)(F)C3)C[C@H]2O1
InChIInChI=1S/C17H20F2N4O3/c18-17(19)6-11(7-17)16(25)23-4-1-10-5-12(26-13(10)9-23)15(24)22-14-8-20-2-3-21-14/h2-3,8,10-13H,1,4-7,9H2,(H,21,22,24)/t10-,12-,13+/m0/s1
InChIKeyWSVYYYXKCRZVHK-WCFLWFBJSA-N
XLogP1.47
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-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-(3,3-difluorocyclobutanecarbonyl)-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-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 131686720) is (2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-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-(3,3-difluorocyclobutanecarbonyl)-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-(3,3-difluorocyclobutanecarbonyl)-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)C3CC(F)(F)C3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is WSVYYYXKCRZVHK-WCFLWFBJSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c18-17(19)6-11(7-17)16(25)23-4-1-10-5-12(26-13(10)9-23)15(24)22-14-8-20-2-3-21-14/h2-3,8,10-13H,1,4-7,9H2,(H,21,22,24)/t10-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 1.47, 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-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 131686720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).