(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C15H18FN5O2 — CID 97388736

IUPAC(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCc1noc([C@@H]2CCO[C@@H]3CCN(c4ncc(F)cn4)C[C@@H]32)n1
InChIInChI=1S/C15H18FN5O2/c1-9-19-14(23-20-9)11-3-5-22-13-2-4-21(8-12(11)13)15-17-6-10(16)7-18-15/h6-7,11-13H,2-5,8H2,1H3/t11-,12-,13-/m1/s1
InChIKeyXULULNAOSCMBQK-JHJVBQTASA-N
MW319.34 g/mol
LogP1.71
Rot. Bonds2

About (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 97388736) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID97388736
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESCc1noc([C@@H]2CCO[C@@H]3CCN(c4ncc(F)cn4)C[C@@H]32)n1
InChIInChI=1S/C15H18FN5O2/c1-9-19-14(23-20-9)11-3-5-22-13-2-4-21(8-12(11)13)15-17-6-10(16)7-18-15/h6-7,11-13H,2-5,8H2,1H3/t11-,12-,13-/m1/s1
InChIKeyXULULNAOSCMBQK-JHJVBQTASA-N
XLogP1.71
TPSA77.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Related Compounds

(3aR,7aR)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 97362747
(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367026
[(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367107
(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367133
(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-N-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367178
(3aR,6R,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97387347
(3aR,6S,7aR)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 97388019
(4R,4aR,8aR)-6-(5-fluoropyrimidin-2-yl)-N-methyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97388702
[(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97388799
[(3S,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-3-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787922
(3aS,7aS)-5-(5-fluoropyrimidin-2-yl)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine
CID 124810687
(3aS,6S,7aS)-4-(5-fluoropyrimidin-2-yl)-6-(3-methyl-1,2,4-oxadiazol-5-yl)-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
CID 133140678

Frequently Asked Questions

What is the IUPAC name of (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 97388736) is (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is Cc1noc([C@@H]2CCO[C@@H]3CCN(c4ncc(F)cn4)C[C@@H]32)n1.
What is the InChIKey of (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is XULULNAOSCMBQK-JHJVBQTASA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-19-14(23-20-9)11-3-5-22-13-2-4-21(8-12(11)13)15-17-6-10(16)7-18-15/h6-7,11-13H,2-5,8H2,1H3/t11-,12-,13-/m1/s1.
What are the key properties of (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
(4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 319.34 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,4aS,8aR)-6-(5-fluoropyrimidin-2-yl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 97388736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).