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

C26H20FN5O3 — CID 135405892

IUPAC4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C26H20FN5O3/c1-32(2)26(34)17-9-7-16(8-10-17)21-19-4-3-13-28-22(19)24(33)23(29-21)25-31-30-20(35-25)14-15-5-11-18(27)12-6-15/h3-13,33H,14H2,1-2H3
InChIKeyDBRYFDBKGOJQHJ-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.48
Rot. Bonds5

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

4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide (PubChem CID 135405892) has the molecular formula C26H20FN5O3 and a molecular weight of 469.48 g/mol. Its IUPAC name is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide
PubChem CID135405892
Molecular FormulaC26H20FN5O3
Molecular Weight469.48 g/mol
Exact Mass469.16
IUPAC Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C26H20FN5O3/c1-32(2)26(34)17-9-7-16(8-10-17)21-19-4-3-13-28-22(19)24(33)23(29-21)25-31-30-20(35-25)14-15-5-11-18(27)12-6-15/h3-13,33H,14H2,1-2H3
InChIKeyDBRYFDBKGOJQHJ-UHFFFAOYSA-N
XLogP4.48
TPSA105.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide (CID 135405892) is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1.
What is the InChIKey of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide?
The InChIKey is DBRYFDBKGOJQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN5O3/c1-32(2)26(34)17-9-7-16(8-10-17)21-19-4-3-13-28-22(19)24(33)23(29-21)25-31-30-20(35-25)14-15-5-11-18(27)12-6-15/h3-13,33H,14H2,1-2H3.
What are the key properties of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide?
4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide has a molecular weight of 469.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 135405892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).