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

C27H22FN5O3 — CID 135545469

IUPAC4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C27H22FN5O3/c1-15(2)30-26(35)18-9-7-17(8-10-18)22-20-4-3-13-29-23(20)25(34)24(31-22)27-33-32-21(36-27)14-16-5-11-19(28)12-6-16/h3-13,15,34H,14H2,1-2H3,(H,30,35)
InChIKeyUVMMYYFIVCXCTA-UHFFFAOYSA-N
MW483.50 g/mol
LogP4.92
Rot. Bonds6

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

4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide (PubChem CID 135545469) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 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-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide
PubChem CID135545469
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C27H22FN5O3/c1-15(2)30-26(35)18-9-7-17(8-10-18)22-20-4-3-13-29-23(20)25(34)24(31-22)27-33-32-21(36-27)14-16-5-11-19(28)12-6-16/h3-13,15,34H,14H2,1-2H3,(H,30,35)
InChIKeyUVMMYYFIVCXCTA-UHFFFAOYSA-N
XLogP4.92
TPSA114.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
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-propan-2-ylbenzamide?
The IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide (CID 135545469) is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide.
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-propan-2-ylbenzamide?
The canonical SMILES for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide is CC(C)NC(=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-propan-2-ylbenzamide?
The InChIKey is UVMMYYFIVCXCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c1-15(2)30-26(35)18-9-7-17(8-10-18)22-20-4-3-13-29-23(20)25(34)24(31-22)27-33-32-21(36-27)14-16-5-11-19(28)12-6-16/h3-13,15,34H,14H2,1-2H3,(H,30,35).
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-propan-2-ylbenzamide?
4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-N-propan-2-ylbenzamide has a molecular weight of 483.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 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-propan-2-ylbenzamide is sourced from PubChem (CID 135545469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).