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

C17H21FN4O3 — CID 131686780

IUPAC(2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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)CCC3)C[C@H]2O1
InChIInChI=1S/C17H21FN4O3/c18-17(3-1-4-17)16(24)22-7-2-11-8-12(25-13(11)10-22)15(23)21-14-9-19-5-6-20-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,21,23)/t11-,12-,13+/m0/s1
InChIKeyCZSBXXSIELMYLX-RWMBFGLXSA-N
MW348.38 g/mol
LogP1.31
Rot. Bonds3

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

(2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (PubChem CID 131686780) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
PubChem CID131686780
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name(2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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)CCC3)C[C@H]2O1
InChIInChI=1S/C17H21FN4O3/c18-17(3-1-4-17)16(24)22-7-2-11-8-12(25-13(11)10-22)15(23)21-14-9-19-5-6-20-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,21,23)/t11-,12-,13+/m0/s1
InChIKeyCZSBXXSIELMYLX-RWMBFGLXSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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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Related Compounds

[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-(oxolan-2-yl)methanone
CID 127023631
(2S,3aR,7aR)-6-(3-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 129554135
(2S,3aR,7aR)-6-(1-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 129554163
(2S,3aR,7aR)-6-(3,3-difluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 131683561
(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
(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
(3,3-Difluorocyclobutyl)-[3-(pyrazin-2-ylamino)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 131688368
1-(tetrahydrofuran-2-ylcarbonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 56738714
[5-(Aminomethyl)oxolan-2-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 80007185
1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 95188018
1-[(2R)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
CID 95188019
(2S,3aS,7aS)-6-(cyclopropylmethyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366788

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide (CID 131686780) is (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-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-fluorocyclobutanecarbonyl)-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-fluorocyclobutanecarbonyl)-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)CCC3)C[C@H]2O1.
What is the InChIKey of (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is CZSBXXSIELMYLX-RWMBFGLXSA-N. The full InChI is InChI=1S/C17H21FN4O3/c18-17(3-1-4-17)16(24)22-7-2-11-8-12(25-13(11)10-22)15(23)21-14-9-19-5-6-20-14/h5-6,9,11-13H,1-4,7-8,10H2,(H,20,21,23)/t11-,12-,13+/m0/s1.
What are the key properties of (2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide?
(2S,3aS,7aS)-6-(1-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.31, 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-fluorocyclobutanecarbonyl)-N-pyrazin-2-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 131686780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).