(5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

C35H38Cl2N8O4 — CID 171815380

About (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

(5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 171815380) has the molecular formula C35H38Cl2N8O4 and a molecular weight of 705.65 g/mol. Its IUPAC name is (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 171815380
• Molecular Formula: C35H38Cl2N8O4
• Molecular Weight: 705.65 g/mol
• Exact Mass: 704.24
• IUPAC Name: (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1nc(-c2ccnc(-c3cccc(Nc4nccc(CNC[C@@H]5CCC(=O)N5)c4OC)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1
• InChI: InChI=1S/C35H38Cl2N8O4/c1-48-33-20(16-38-18-22-7-10-28(46)42-22)12-14-41-34(33)44-27-5-3-4-25(30(27)36)32-31(37)24(13-15-40-32)26-9-6-21(35(45-26)49-2)17-39-19-23-8-11-29(47)43-23/h3-6,9,12-15,22-23,38-39H,7-8,10-11,16-19H2,1-2H3,(H,41,44)(H,42,46)(H,43,47)/t22-,23+/m0/s1
• InChIKey: PGLLGOWVBNAXEO-XZOQPEGZSA-N
• XLogP: 5.01
• TPSA: 151.42 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.65
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The IUPAC name of (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (CID 171815380) is (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

What is the SMILES notation for (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The canonical SMILES for (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2ccnc(-c3cccc(Nc4nccc(CNC[C@@H]5CCC(=O)N5)c4OC)c3Cl)c2Cl)ccc1CNC[C@H]1CCC(=O)N1.

What is the InChIKey of (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

The InChIKey is PGLLGOWVBNAXEO-XZOQPEGZSA-N. The full InChI is InChI=1S/C35H38Cl2N8O4/c1-48-33-20(16-38-18-22-7-10-28(46)42-22)12-14-41-34(33)44-27-5-3-4-25(30(27)36)32-31(37)24(13-15-40-32)26-9-6-21(35(45-26)49-2)17-39-19-23-8-11-29(47)43-23/h3-6,9,12-15,22-23,38-39H,7-8,10-11,16-19H2,1-2H3,(H,41,44)(H,42,46)(H,43,47)/t22-,23+/m0/s1.

What are the key properties of (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?

(5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 705.65 g/mol, XLogP of 5.01, 14 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[6-[3-chloro-2-[2-chloro-3-[[3-methoxy-4-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]-2-pyridinyl]amino]phenyl]-4-pyridinyl]-2-methoxy-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 171815380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).