2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane

C40H44Cl2N4O4 — CID 170696468

About 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane

2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane (PubChem CID 170696468) has the molecular formula C40H44Cl2N4O4 and a molecular weight of 715.72 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 170696468
• Molecular Formula: C40H44Cl2N4O4
• Molecular Weight: 715.72 g/mol
• Exact Mass: 714.27
• IUPAC Name: 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane
• SMILES: COc1cc(-c2nccc(-c3cccc(-c4ccc(CN5CC6(CCOCC6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCOCC2)C1
• InChI: InChI=1S/C40H44Cl2N4O4/c1-47-34-20-27(6-7-28(34)21-45-23-39(24-45)11-16-49-17-12-39)37-36(42)31(10-15-43-37)30-4-3-5-32(35(30)41)33-9-8-29(38(44-33)48-2)22-46-25-40(26-46)13-18-50-19-14-40/h3-10,15,20H,11-14,16-19,21-26H2,1-2H3
• InChIKey: LMBGRUVLYTUEDF-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 69.18 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	715.72
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane (CID 170696468) is 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane is COc1cc(-c2nccc(-c3cccc(-c4ccc(CN5CC6(CCOCC6)C5)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(CCOCC2)C1.

What is the InChIKey of 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane?

The InChIKey is LMBGRUVLYTUEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44Cl2N4O4/c1-47-34-20-27(6-7-28(34)21-45-23-39(24-45)11-16-49-17-12-39)37-36(42)31(10-15-43-37)30-4-3-5-32(35(30)41)33-9-8-29(38(44-33)48-2)22-46-25-40(26-46)13-18-50-19-14-40/h3-10,15,20H,11-14,16-19,21-26H2,1-2H3.

What are the key properties of 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane?

2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane has a molecular weight of 715.72 g/mol, XLogP of 8.03, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[2-chloro-3-[3-chloro-2-[3-methoxy-4-(7-oxa-2-azaspiro[3.5]nonan-2-ylmethyl)phenyl]-4-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-7-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 170696468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).