2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one

C36H36Cl2N6O6 — CID 146250648

About 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one

2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 146250648) has the molecular formula C36H36Cl2N6O6 and a molecular weight of 719.63 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
• PubChem CID: 146250648
• Molecular Formula: C36H36Cl2N6O6
• Molecular Weight: 719.63 g/mol
• Exact Mass: 718.21
• IUPAC Name: 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CNC(O)O6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)O2)C1
• InChI: InChI=1S/C36H36Cl2N6O6/c1-47-31-21(13-43-17-35(18-43)15-39-33(45)49-35)9-11-27(41-31)25-7-3-5-23(29(25)37)24-6-4-8-26(30(24)38)28-12-10-22(32(42-28)48-2)14-44-19-36(20-44)16-40-34(46)50-36/h3-12,33,39,45H,13-20H2,1-2H3,(H,40,46)
• InChIKey: ZLNFBHSBGMBMLX-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 130.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.63
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one (CID 146250648) is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(CNC(O)O6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CNC(=O)O2)C1.

What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?

The InChIKey is ZLNFBHSBGMBMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36Cl2N6O6/c1-47-31-21(13-43-17-35(18-43)15-39-33(45)49-35)9-11-27(41-31)25-7-3-5-23(29(25)37)24-6-4-8-26(30(24)38)28-12-10-22(32(42-28)48-2)14-44-19-36(20-44)16-40-34(46)50-36/h3-12,33,39,45H,13-20H2,1-2H3,(H,40,46).

What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?

2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 719.63 g/mol, XLogP of 4.55, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146250648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).