7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol

C22H21FN6O4S — CID 135869525

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
SMILESCS(=O)(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C22H21FN6O4S/c1-34(31,32)29-11-9-28(10-12-29)21-16-3-2-8-24-18(16)20(30)19(25-21)22-27-26-17(33-22)13-14-4-6-15(23)7-5-14/h2-8,30H,9-13H2,1H3
InChIKeyBAXCOWGDESVVNU-UHFFFAOYSA-N
MW484.51 g/mol
LogP2.20
Rot. Bonds5

About 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol (PubChem CID 135869525) has the molecular formula C22H21FN6O4S and a molecular weight of 484.51 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
PubChem CID135869525
Molecular FormulaC22H21FN6O4S
Molecular Weight484.51 g/mol
Exact Mass484.13
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol
SMILESCS(=O)(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1
InChIInChI=1S/C22H21FN6O4S/c1-34(31,32)29-11-9-28(10-12-29)21-16-3-2-8-24-18(16)20(30)19(25-21)22-27-26-17(33-22)13-14-4-6-15(23)7-5-14/h2-8,30H,9-13H2,1H3
InChIKeyBAXCOWGDESVVNU-UHFFFAOYSA-N
XLogP2.20
TPSA125.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol (CID 135869525) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol is CS(=O)(=O)N1CCN(c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)CC1.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
The InChIKey is BAXCOWGDESVVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O4S/c1-34(31,32)29-11-9-28(10-12-29)21-16-3-2-8-24-18(16)20(30)19(25-21)22-27-26-17(33-22)13-14-4-6-15(23)7-5-14/h2-8,30H,9-13H2,1H3.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol has a molecular weight of 484.51 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(4-methylsulfonylpiperazin-1-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135869525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).