2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

C40H38Cl2N10O2 — CID 158361045

About 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one

2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 158361045) has the molecular formula C40H38Cl2N10O2 and a molecular weight of 761.72 g/mol. Its IUPAC name is 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

• Compound Name: 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
• PubChem CID: 158361045
• Molecular Formula: C40H38Cl2N10O2
• Molecular Weight: 761.72 g/mol
• Exact Mass: 760.26
• IUPAC Name: 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
• SMILES: Cn1cc(CN2CC3(CCC(=O)N3)C2)c2ncc(-c3cccc(-c4cccc(-c5cnc6c(CN7CC8(CCC(=O)N8)C7)cn(C)c6n5)c4Cl)c3Cl)nc21
• InChI: InChI=1S/C40H38Cl2N10O2/c1-49-15-23(17-51-19-39(20-51)11-9-31(53)47-39)35-37(49)45-29(13-43-35)27-7-3-5-25(33(27)41)26-6-4-8-28(34(26)42)30-14-44-36-24(16-50(2)38(36)46-30)18-52-21-40(22-52)12-10-32(54)48-40/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,47,53)(H,48,54)
• InChIKey: GTLYTLDFRXPZJI-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 126.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	761.72
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The IUPAC name of 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 158361045) is 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

What is the SMILES notation for 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The canonical SMILES for 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is Cn1cc(CN2CC3(CCC(=O)N3)C2)c2ncc(-c3cccc(-c4cccc(-c5cnc6c(CN7CC8(CCC(=O)N8)C7)cn(C)c6n5)c4Cl)c3Cl)nc21.

What is the InChIKey of 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

The InChIKey is GTLYTLDFRXPZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38Cl2N10O2/c1-49-15-23(17-51-19-39(20-51)11-9-31(53)47-39)35-37(49)45-29(13-43-35)27-7-3-5-25(33(27)41)26-6-4-8-28(34(26)42)30-14-44-36-24(16-50(2)38(36)46-30)18-52-21-40(22-52)12-10-32(54)48-40/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,47,53)(H,48,54).

What are the key properties of 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?

2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 761.72 g/mol, XLogP of 5.49, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[2-chloro-3-[2-chloro-3-[5-methyl-7-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrrolo[2,3-b]pyrazin-3-yl]phenyl]phenyl]-5-methylpyrrolo[2,3-b]pyrazin-7-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 158361045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).