(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one

C38H38Cl2FN3O3 — CID 159990504

About (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one

(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one (PubChem CID 159990504) has the molecular formula C38H38Cl2FN3O3 and a molecular weight of 674.64 g/mol. Its IUPAC name is (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one
• PubChem CID: 159990504
• Molecular Formula: C38H38Cl2FN3O3
• Molecular Weight: 674.64 g/mol
• Exact Mass: 673.23
• IUPAC Name: (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(CNC[C@@H]5CCC(=O)C5)cc4F)c3Cl)c2Cl)ccc1CCC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C38H38Cl2FN3O3/c1-47-38-25(5-2-6-26-14-18-35(46)43-26)13-17-34(44-38)32-10-4-9-31(37(32)40)30-8-3-7-29(36(30)39)28-16-12-24(20-33(28)41)22-42-21-23-11-15-27(45)19-23/h3-4,7-10,12-13,16-17,20,23,26,42H,2,5-6,11,14-15,18-19,21-22H2,1H3,(H,43,46)/t23-,26-/m1/s1
• InChIKey: OGWSVWFTLXEHEI-ZEQKJWHPSA-N
• XLogP: 8.60
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.64
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one (CID 159990504) is (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNC[C@@H]5CCC(=O)C5)cc4F)c3Cl)c2Cl)ccc1CCC[C@@H]1CCC(=O)N1.

What is the InChIKey of (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one?

The InChIKey is OGWSVWFTLXEHEI-ZEQKJWHPSA-N. The full InChI is InChI=1S/C38H38Cl2FN3O3/c1-47-38-25(5-2-6-26-14-18-35(46)43-26)13-17-34(44-38)32-10-4-9-31(37(32)40)30-8-3-7-29(36(30)39)28-16-12-24(20-33(28)41)22-42-21-23-11-15-27(45)19-23/h3-4,7-10,12-13,16-17,20,23,26,42H,2,5-6,11,14-15,18-19,21-22H2,1H3,(H,43,46)/t23-,26-/m1/s1.

What are the key properties of (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one?

(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one has a molecular weight of 674.64 g/mol, XLogP of 8.60, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[2-fluoro-4-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]phenyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 159990504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).