(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one

C33H25F3N4O2 — CID 157211775

About (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one

(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one (PubChem CID 157211775) has the molecular formula C33H25F3N4O2 and a molecular weight of 566.58 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one.

Molecular Properties

• Compound Name: (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one
• PubChem CID: 157211775
• Molecular Formula: C33H25F3N4O2
• Molecular Weight: 566.58 g/mol
• Exact Mass: 566.19
• IUPAC Name: (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one
• SMILES: Cc1nnc(-c2cccc(-c3cccnc3[C@@H](CC(=O)Cc3c[nH]c4ccc(F)cc34)Cc3cc(F)cc(F)c3)c2)o1
• InChI: InChI=1S/C33H25F3N4O2/c1-19-39-40-33(42-19)22-5-2-4-21(13-22)29-6-3-9-37-32(29)23(10-20-11-26(35)16-27(36)12-20)14-28(41)15-24-18-38-31-8-7-25(34)17-30(24)31/h2-9,11-13,16-18,23,38H,10,14-15H2,1H3/t23-/m1/s1
• InChIKey: JXLXYVWXNDNWGC-HSZRJFAPSA-N
• XLogP: 7.53
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.58
LogP ≤ 5	7.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one?

The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one (CID 157211775) is (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one.

What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one?

The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one is Cc1nnc(-c2cccc(-c3cccnc3[C@@H](CC(=O)Cc3c[nH]c4ccc(F)cc34)Cc3cc(F)cc(F)c3)c2)o1.

What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one?

The InChIKey is JXLXYVWXNDNWGC-HSZRJFAPSA-N. The full InChI is InChI=1S/C33H25F3N4O2/c1-19-39-40-33(42-19)22-5-2-4-21(13-22)29-6-3-9-37-32(29)23(10-20-11-26(35)16-27(36)12-20)14-28(41)15-24-18-38-31-8-7-25(34)17-30(24)31/h2-9,11-13,16-18,23,38H,10,14-15H2,1H3/t23-/m1/s1.

What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one?

(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one has a molecular weight of 566.58 g/mol, XLogP of 7.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one is sourced from PubChem (CID 157211775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).