N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide

C24H18FN5O4S — CID 135454946

IUPACN-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1
InChIInChI=1S/C24H18FN5O4S/c1-35(32,33)30-17-5-2-4-15(13-17)20-18-6-3-11-26-21(18)23(31)22(27-20)24-29-28-19(34-24)12-14-7-9-16(25)10-8-14/h2-11,13,30-31H,12H2,1H3
InChIKeyDWSOCBIUCWMILK-UHFFFAOYSA-N
MW491.50 g/mol
LogP4.15
Rot. Bonds6

About N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide

N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide (PubChem CID 135454946) has the molecular formula C24H18FN5O4S and a molecular weight of 491.50 g/mol. Its IUPAC name is N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide
PubChem CID135454946
Molecular FormulaC24H18FN5O4S
Molecular Weight491.50 g/mol
Exact Mass491.11
IUPAC NameN-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1
InChIInChI=1S/C24H18FN5O4S/c1-35(32,33)30-17-5-2-4-15(13-17)20-18-6-3-11-26-21(18)23(31)22(27-20)24-29-28-19(34-24)12-14-7-9-16(25)10-8-14/h2-11,13,30-31H,12H2,1H3
InChIKeyDWSOCBIUCWMILK-UHFFFAOYSA-N
XLogP4.15
TPSA131.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide (CID 135454946) is N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)c1.
What is the InChIKey of N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide?
The InChIKey is DWSOCBIUCWMILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O4S/c1-35(32,33)30-17-5-2-4-15(13-17)20-18-6-3-11-26-21(18)23(31)22(27-20)24-29-28-19(34-24)12-14-7-9-16(25)10-8-14/h2-11,13,30-31H,12H2,1H3.
What are the key properties of N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide?
N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide has a molecular weight of 491.50 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 135454946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).