3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile

C64H50Cl2F2N4O5 — CID 159359073

About 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile

3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile (PubChem CID 159359073) has the molecular formula C64H50Cl2F2N4O5 and a molecular weight of 1064.03 g/mol. Its IUPAC name is 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile
• PubChem CID: 159359073
• Molecular Formula: C64H50Cl2F2N4O5
• Molecular Weight: 1064.03 g/mol
• Exact Mass: 1062.31
• IUPAC Name: 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile
• SMILES: N#Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(Cl)c2)c1.NC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(Cl)c2)c1
• InChI: InChI=1S/C32H26ClFN2O3.C32H24ClFN2O2/c33-25-12-19(13-26(34)17-25)11-24(16-28(38)15-22-7-6-20-8-9-27(37)18-30(20)22)31-29(5-2-10-36-31)21-3-1-4-23(14-21)32(35)39;33-26-13-21(14-27(34)17-26)12-25(16-29(38)15-24-7-6-22-8-9-28(37)18-31(22)24)32-30(5-2-10-36-32)23-4-1-3-20(11-23)19-35/h1-5,7-10,12-14,17-18,24,37H,6,11,15-16H2,(H2,35,39);1-5,7-11,13-14,17-18,25,37H,6,12,15-16H2/t24-;25-/m11/s1
• InChIKey: LIHLUNGUIQJTKV-IAWIZQBASA-N
• XLogP: 14.09
• TPSA: 167.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1064.03
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile?

The IUPAC name of 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile (CID 159359073) is 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile.

What is the SMILES notation for 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile?

The canonical SMILES for 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile is N#Cc1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(Cl)c2)c1.NC(=O)c1cccc(-c2cccnc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(Cl)c2)c1.

What is the InChIKey of 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile?

The InChIKey is LIHLUNGUIQJTKV-IAWIZQBASA-N. The full InChI is InChI=1S/C32H26ClFN2O3.C32H24ClFN2O2/c33-25-12-19(13-26(34)17-25)11-24(16-28(38)15-22-7-6-20-8-9-27(37)18-30(20)22)31-29(5-2-10-36-31)21-3-1-4-23(14-21)32(35)39;33-26-13-21(14-27(34)17-26)12-25(16-29(38)15-24-7-6-22-8-9-28(37)18-31(22)24)32-30(5-2-10-36-32)23-4-1-3-20(11-23)19-35/h1-5,7-10,12-14,17-18,24,37H,6,11,15-16H2,(H2,35,39);1-5,7-11,13-14,17-18,25,37H,6,12,15-16H2/t24-;25-/m11/s1.

What are the key properties of 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile?

3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile has a molecular weight of 1064.03 g/mol, XLogP of 14.09, 17 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;3-[2-[(2R)-1-(3-chloro-5-fluorophenyl)-5-(6-hydroxy-3H-inden-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzonitrile is sourced from PubChem (CID 159359073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).