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

C38H40Cl2N4O4 — CID 157125566

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

(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one (PubChem CID 157125566) has the molecular formula C38H40Cl2N4O4 and a molecular weight of 687.67 g/mol. Its IUPAC name is (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one
• PubChem CID: 157125566
• Molecular Formula: C38H40Cl2N4O4
• Molecular Weight: 687.67 g/mol
• Exact Mass: 686.24
• IUPAC Name: (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(CNC[C@@H]5CCC(=O)C5)c(OC)n4)c3Cl)c2Cl)ccc1CCC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C38H40Cl2N4O4/c1-47-37-24(6-3-7-26-15-19-34(46)42-26)13-17-32(43-37)30-10-4-8-28(35(30)39)29-9-5-11-31(36(29)40)33-18-14-25(38(44-33)48-2)22-41-21-23-12-16-27(45)20-23/h4-5,8-11,13-14,17-18,23,26,41H,3,6-7,12,15-16,19-22H2,1-2H3,(H,42,46)/t23-,26-/m1/s1
• InChIKey: AILVEASFWQPYSC-ZEQKJWHPSA-N
• XLogP: 7.86
• TPSA: 102.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.67
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one (CID 157125566) is (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]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-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNC[C@@H]5CCC(=O)C5)c(OC)n4)c3Cl)c2Cl)ccc1CCC[C@@H]1CCC(=O)N1.

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

The InChIKey is AILVEASFWQPYSC-ZEQKJWHPSA-N. The full InChI is InChI=1S/C38H40Cl2N4O4/c1-47-37-24(6-3-7-26-15-19-34(46)42-26)13-17-32(43-37)30-10-4-8-28(35(30)39)29-9-5-11-31(36(29)40)33-18-14-25(38(44-33)48-2)22-41-21-23-12-16-27(45)20-23/h4-5,8-11,13-14,17-18,23,26,41H,3,6-7,12,15-16,19-22H2,1-2H3,(H,42,46)/t23-,26-/m1/s1.

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

(5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one has a molecular weight of 687.67 g/mol, XLogP of 7.86, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[3-[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(1R)-3-oxocyclopentyl]methylamino]methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 157125566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).