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

C38H42Cl2N6O4 — CID 170697192

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

(5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one (PubChem CID 170697192) has the molecular formula C38H42Cl2N6O4 and a molecular weight of 717.70 g/mol. Its IUPAC name is (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one
• PubChem CID: 170697192
• Molecular Formula: C38H42Cl2N6O4
• Molecular Weight: 717.70 g/mol
• Exact Mass: 716.26
• IUPAC Name: (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one
• SMILES: COc1cc(-c2nccc(-c3cccc(-c4ccc(CN(C)C[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ccc1CN(C)C[C@H]1CCC(=O)N1
• InChI: InChI=1S/C38H42Cl2N6O4/c1-45(21-26-11-14-33(47)42-26)19-24-9-8-23(18-32(24)49-3)37-36(40)29(16-17-41-37)28-6-5-7-30(35(28)39)31-13-10-25(38(44-31)50-4)20-46(2)22-27-12-15-34(48)43-27/h5-10,13,16-18,26-27H,11-12,14-15,19-22H2,1-4H3,(H,42,47)(H,43,48)/t26-,27+/m1/s1
• InChIKey: ZIUUALRCERSGIK-SXOMAYOGSA-N
• XLogP: 6.22
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.70
LogP ≤ 5	6.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one (CID 170697192) is (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one.

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

The canonical SMILES for (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one is COc1cc(-c2nccc(-c3cccc(-c4ccc(CN(C)C[C@@H]5CCC(=O)N5)c(OC)n4)c3Cl)c2Cl)ccc1CN(C)C[C@H]1CCC(=O)N1.

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

The InChIKey is ZIUUALRCERSGIK-SXOMAYOGSA-N. The full InChI is InChI=1S/C38H42Cl2N6O4/c1-45(21-26-11-14-33(47)42-26)19-24-9-8-23(18-32(24)49-3)37-36(40)29(16-17-41-37)28-6-5-7-30(35(28)39)31-13-10-25(38(44-31)50-4)20-46(2)22-27-12-15-34(48)43-27/h5-10,13,16-18,26-27H,11-12,14-15,19-22H2,1-4H3,(H,42,47)(H,43,48)/t26-,27+/m1/s1.

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

(5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one has a molecular weight of 717.70 g/mol, XLogP of 6.22, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[[[4-[3-chloro-4-[2-chloro-3-[6-methoxy-5-[[methyl-[[(2S)-5-oxopyrrolidin-2-yl]methyl]amino]methyl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methoxyphenyl]methyl-methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 170697192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).