2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one

C39H39Cl2N7O5 — CID 167374372

About 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one

2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 167374372) has the molecular formula C39H39Cl2N7O5 and a molecular weight of 756.69 g/mol. Its IUPAC name is 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one
• PubChem CID: 167374372
• Molecular Formula: C39H39Cl2N7O5
• Molecular Weight: 756.69 g/mol
• Exact Mass: 755.24
• IUPAC Name: 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC6(CCC(=O)N6)C4)CO5)c3Cl)c2Cl)cnc1CN1CC2(C1)CN(C(C)=O)C2
• InChI: InChI=1S/C39H39Cl2N7O5/c1-22(49)47-18-38(19-47)16-46(17-38)14-29-36(51-2)44-28(13-42-29)26-9-5-7-24(35(26)41)23-6-4-8-25(34(23)40)27-12-31-33(37(43-27)52-3)30(15-53-31)48-20-39(21-48)11-10-32(50)45-39/h4-9,12-13,30H,10-11,14-21H2,1-3H3,(H,45,50)/t30-/m0/s1
• InChIKey: ODNJHLAODCISGX-PMERELPUSA-N
• XLogP: 5.26
• TPSA: 122.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.69
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one (CID 167374372) is 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC6(CCC(=O)N6)C4)CO5)c3Cl)c2Cl)cnc1CN1CC2(C1)CN(C(C)=O)C2.

What is the InChIKey of 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one?

The InChIKey is ODNJHLAODCISGX-PMERELPUSA-N. The full InChI is InChI=1S/C39H39Cl2N7O5/c1-22(49)47-18-38(19-47)16-46(17-38)14-29-36(51-2)44-28(13-42-29)26-9-5-7-24(35(26)41)23-6-4-8-25(34(23)40)27-12-31-33(37(43-27)52-3)30(15-53-31)48-20-39(21-48)11-10-32(50)45-39/h4-9,12-13,30H,10-11,14-21H2,1-3H3,(H,45,50)/t30-/m0/s1.

What are the key properties of 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one?

2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 756.69 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3R)-6-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-4-methoxy-2,3-dihydrofuro[3,2-c]pyridin-3-yl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167374372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).