2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

C37H37Cl3N6O5 — CID 167160314

About 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one

2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 167160314) has the molecular formula C37H37Cl3N6O5 and a molecular weight of 752.10 g/mol. Its IUPAC name is 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 167160314
• Molecular Formula: C37H37Cl3N6O5
• Molecular Weight: 752.10 g/mol
• Exact Mass: 750.19
• IUPAC Name: 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
• SMILES: COc1nc(OCc2cccc(-c3cccc(-c4ccc(CNCC5CCC(=O)N5)c(=O)[nH]4)c3Cl)c2Cl)c(Cl)cc1CN1CC2(CNC(=O)C2)C1
• InChI: InChI=1S/C37H37Cl3N6O5/c1-50-35-23(16-46-19-37(20-46)13-31(48)42-18-37)12-28(38)36(45-35)51-17-22-4-2-5-25(32(22)39)26-6-3-7-27(33(26)40)29-10-8-21(34(49)44-29)14-41-15-24-9-11-30(47)43-24/h2-8,10,12,24,41H,9,11,13-20H2,1H3,(H,42,48)(H,43,47)(H,44,49)
• InChIKey: YWAUALCBNOIYDE-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 137.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	752.10
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one (CID 167160314) is 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is COc1nc(OCc2cccc(-c3cccc(-c4ccc(CNCC5CCC(=O)N5)c(=O)[nH]4)c3Cl)c2Cl)c(Cl)cc1CN1CC2(CNC(=O)C2)C1.

What is the InChIKey of 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

The InChIKey is YWAUALCBNOIYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37Cl3N6O5/c1-50-35-23(16-46-19-37(20-46)13-31(48)42-18-37)12-28(38)36(45-35)51-17-22-4-2-5-25(32(22)39)26-6-3-7-27(33(26)40)29-10-8-21(34(49)44-29)14-41-15-24-9-11-30(47)43-24/h2-8,10,12,24,41H,9,11,13-20H2,1H3,(H,42,48)(H,43,47)(H,44,49).

What are the key properties of 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one?

2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 752.10 g/mol, XLogP of 5.34, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-chloro-6-[[2-chloro-3-[2-chloro-3-[6-oxo-5-[[(5-oxopyrrolidin-2-yl)methylamino]methyl]-1H-pyridin-2-yl]phenyl]phenyl]methoxy]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167160314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).