5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C18H20F4N4O6S — CID 90203246

IUPAC5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@](C)(CS(C)(=O)=O)NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)no1
InChIInChI=1S/C18H20F4N4O6S/c1-10-24-15(26-32-10)16(2,9-33(3,28)29)25-14(27)12-4-13(31-8-18(20,21)22)11(5-23-12)17(19)6-30-7-17/h4-5H,6-9H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyPRYDBTFZRIASDS-INIZCTEOSA-N
MW496.44 g/mol
LogP1.60
Rot. Bonds8

About 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 90203246) has the molecular formula C18H20F4N4O6S and a molecular weight of 496.44 g/mol. Its IUPAC name is 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID90203246
Molecular FormulaC18H20F4N4O6S
Molecular Weight496.44 g/mol
Exact Mass496.10
IUPAC Name5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1nc([C@](C)(CS(C)(=O)=O)NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)no1
InChIInChI=1S/C18H20F4N4O6S/c1-10-24-15(26-32-10)16(2,9-33(3,28)29)25-14(27)12-4-13(31-8-18(20,21)22)11(5-23-12)17(19)6-30-7-17/h4-5H,6-9H2,1-3H3,(H,25,27)/t16-/m0/s1
InChIKeyPRYDBTFZRIASDS-INIZCTEOSA-N
XLogP1.60
TPSA133.51 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 90203246) is 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1nc([C@](C)(CS(C)(=O)=O)NC(=O)c2cc(OCC(F)(F)F)c(C3(F)COC3)cn2)no1.
What is the InChIKey of 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is PRYDBTFZRIASDS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20F4N4O6S/c1-10-24-15(26-32-10)16(2,9-33(3,28)29)25-14(27)12-4-13(31-8-18(20,21)22)11(5-23-12)17(19)6-30-7-17/h4-5H,6-9H2,1-3H3,(H,25,27)/t16-/m0/s1.
What are the key properties of 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 496.44 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorooxetan-3-yl)-N-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-methylsulfonylpropan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 90203246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).