2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

C19H17FN6O3S — CID 142969368

IUPAC2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCN(C)S(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN6O3S/c1-26(2)30(28)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(29-19)10-11-5-7-12(20)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,25)
InChIKeyGOEXZGPJRVIEAO-UHFFFAOYSA-N
MW428.45 g/mol
LogP2.67
Rot. Bonds6

About 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole

2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 142969368) has the molecular formula C19H17FN6O3S and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID142969368
Molecular FormulaC19H17FN6O3S
Molecular Weight428.45 g/mol
Exact Mass428.11
IUPAC Name2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCN(C)S(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN6O3S/c1-26(2)30(28)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(29-19)10-11-5-7-12(20)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,25)
InChIKeyGOEXZGPJRVIEAO-UHFFFAOYSA-N
XLogP2.67
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 142969368) is 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is CN(C)S(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is GOEXZGPJRVIEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3S/c1-26(2)30(28)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(29-19)10-11-5-7-12(20)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,25).
What are the key properties of 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 428.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142969368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).