4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one

C34H36Cl2N8O5 — CID 139457824

About 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one

4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 139457824) has the molecular formula C34H36Cl2N8O5 and a molecular weight of 707.62 g/mol. Its IUPAC name is 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 139457824
• Molecular Formula: C34H36Cl2N8O5
• Molecular Weight: 707.62 g/mol
• Exact Mass: 706.22
• IUPAC Name: 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cnc(CNCC5(C)COC(=O)N5)c(OC)n4)c3Cl)c2Cl)cnc1CNC[C@@H]1CCC(=O)N1
• InChI: InChI=1S/C34H36Cl2N8O5/c1-34(18-49-33(46)44-34)17-38-14-27-32(48-3)43-25(16-40-27)23-9-5-7-21(30(23)36)20-6-4-8-22(29(20)35)24-15-39-26(31(42-24)47-2)13-37-12-19-10-11-28(45)41-19/h4-9,15-16,19,37-38H,10-14,17-18H2,1-3H3,(H,41,45)(H,44,46)/t19-,34?/m0/s1
• InChIKey: CAEKQUAFICQNHT-IZPSYREMSA-N
• XLogP: 4.55
• TPSA: 161.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	707.62
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 139457824) is 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one is COc1nc(-c2cccc(-c3cccc(-c4cnc(CNCC5(C)COC(=O)N5)c(OC)n4)c3Cl)c2Cl)cnc1CNC[C@@H]1CCC(=O)N1.

What is the InChIKey of 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is CAEKQUAFICQNHT-IZPSYREMSA-N. The full InChI is InChI=1S/C34H36Cl2N8O5/c1-34(18-49-33(46)44-34)17-38-14-27-32(48-3)43-25(16-40-27)23-9-5-7-21(30(23)36)20-6-4-8-22(29(20)35)24-15-39-26(31(42-24)47-2)13-37-12-19-10-11-28(45)41-19/h4-9,15-16,19,37-38H,10-14,17-18H2,1-3H3,(H,41,45)(H,44,46)/t19-,34?/m0/s1.

What are the key properties of 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one?

4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 707.62 g/mol, XLogP of 4.55, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139457824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).