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

C19H17FN6O4S — CID 135540532

IUPAC2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN6O4S/c1-26(2)31(28,29)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(30-19)10-11-5-7-12(20)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,25)
InChIKeyKNCYPTNNPJXEKG-UHFFFAOYSA-N
MW444.45 g/mol
LogP2.33
Rot. Bonds6

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

2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (PubChem CID 135540532) has the molecular formula C19H17FN6O4S and a molecular weight of 444.45 g/mol. Its IUPAC name is 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
PubChem CID135540532
Molecular FormulaC19H17FN6O4S
Molecular Weight444.45 g/mol
Exact Mass444.10
IUPAC Name2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
SMILESCN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C19H17FN6O4S/c1-26(2)31(28,29)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(30-19)10-11-5-7-12(20)8-6-11/h3-9,27H,10H2,1-2H3,(H,22,25)
InChIKeyKNCYPTNNPJXEKG-UHFFFAOYSA-N
XLogP2.33
TPSA134.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[5-(dimethylsulfinamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole
CID 142969368
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-propan-2-yl-1,6-naphthyridine-5-carboxamide
CID 135869552
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-N-(2-methoxyethyl)-1,6-naphthyridine-5-carboxamide
CID 135869555
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
CID 135869525
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(1H-pyrazol-2-ium-2-yl)-1,6-naphthyridin-8-ol
CID 135964634
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,6-naphthyridin-8-ol
CID 135524880
1-[4-[7-(5-benzyl-1,3,4-oxadiazol-2-yl)-8-hydroxy-1,6-naphthyridin-5-yl]piperazin-1-yl]ethanone
CID 135999823
7-(5-benzyl-1,3,4-oxadiazol-2-yl)-5-(4-pyrazin-2-ylpiperazin-1-yl)-1,6-naphthyridin-8-ol
CID 135540541
methyl 5-(dimethylsulfamoylamino)-3-[(4-fluorophenyl)methyl]-8-phenylmethoxy-1,6-naphthyridine-7-carboxylate
CID 59696409
dichloromethane;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-hydroxy-3-methylpyrimidin-4-one;6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-3-methyl-5-phenylmethoxypyrimidin-4-one
CID 158921157
N-[7-[(4-fluorophenyl)methyl]-8,9-dihydroxypyrrolo[3,4-g]quinolin-5-yl]-N-methylmethanesulfonamide
CID 91518317
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxamide
CID 86280638

Frequently Asked Questions

What is the IUPAC name of 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole (CID 135540532) is 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is CN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is KNCYPTNNPJXEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O4S/c1-26(2)31(28,29)25-18-13-4-3-9-21-15(13)17(27)16(22-18)19-24-23-14(30-19)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-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole?
2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 444.45 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(dimethylsulfamoylamino)-8-hydroxy-1,6-naphthyridin-7-yl]-5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 135540532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).