2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one

C40H41Cl2N7O4 — CID 167374546

About 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one

2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 167374546) has the molecular formula C40H41Cl2N7O4 and a molecular weight of 754.72 g/mol. Its IUPAC name is 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one
• PubChem CID: 167374546
• Molecular Formula: C40H41Cl2N7O4
• Molecular Weight: 754.72 g/mol
• Exact Mass: 753.26
• IUPAC Name: 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one
• SMILES: COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC6(CCC(=O)N6)C4)CC5)c3Cl)c2Cl)cnc1CN1CC2(C1)CN(C(C)=O)C2
• InChI: InChI=1S/C40H41Cl2N7O4/c1-23(50)48-19-39(20-48)17-47(18-39)16-31-37(52-2)45-30(15-43-31)28-9-5-7-26(36(28)42)25-6-4-8-27(35(25)41)29-14-24-10-11-32(34(24)38(44-29)53-3)49-21-40(22-49)13-12-33(51)46-40/h4-9,14-15,32H,10-13,16-22H2,1-3H3,(H,46,51)/t32-/m0/s1
• InChIKey: KNPWFYJYLMPWNN-YTTGMZPUSA-N
• XLogP: 5.81
• TPSA: 113.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.72
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one (CID 167374546) is 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one is COc1nc(-c2cccc(-c3cccc(-c4cc5c(c(OC)n4)[C@@H](N4CC6(CCC(=O)N6)C4)CC5)c3Cl)c2Cl)cnc1CN1CC2(C1)CN(C(C)=O)C2.

What is the InChIKey of 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one?

The InChIKey is KNPWFYJYLMPWNN-YTTGMZPUSA-N. The full InChI is InChI=1S/C40H41Cl2N7O4/c1-23(50)48-19-39(20-48)17-47(18-39)16-31-37(52-2)45-30(15-43-31)28-9-5-7-26(36(28)42)25-6-4-8-27(35(25)41)29-14-24-10-11-32(34(24)38(44-29)53-3)49-21-40(22-49)13-12-33(51)46-40/h4-9,14-15,32H,10-13,16-22H2,1-3H3,(H,46,51)/t32-/m0/s1.

What are the key properties of 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one?

2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 754.72 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7S)-3-[3-[3-[5-[(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)methyl]-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-1-methoxy-6,7-dihydro-5H-cyclopenta[c]pyridin-7-yl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 167374546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).