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

C36H38Cl2N10O2 — CID 139430012

IUPAC2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C36H38Cl2N10O2/c1-39-33-27(15-47-17-35(18-47)11-9-29(49)45-35)41-13-25(43-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-42-28(34(40-2)44-26)16-48-19-36(20-48)12-10-30(50)46-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,39,43)(H,40,44)(H,45,49)(H,46,50)
InChIKeyJQTFCJRZYOUWOG-UHFFFAOYSA-N
MW713.67 g/mol
LogP4.59
Rot. Bonds9

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

2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 139430012) has the molecular formula C36H38Cl2N10O2 and a molecular weight of 713.67 g/mol. Its IUPAC name is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID139430012
Molecular FormulaC36H38Cl2N10O2
Molecular Weight713.67 g/mol
Exact Mass712.26
IUPAC Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C36H38Cl2N10O2/c1-39-33-27(15-47-17-35(18-47)11-9-29(49)45-35)41-13-25(43-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-42-28(34(40-2)44-26)16-48-19-36(20-48)12-10-30(50)46-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,39,43)(H,40,44)(H,45,49)(H,46,50)
InChIKeyJQTFCJRZYOUWOG-UHFFFAOYSA-N
XLogP4.59
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500713.67
LogP ≤ 54.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 139430012) is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is CNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is JQTFCJRZYOUWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38Cl2N10O2/c1-39-33-27(15-47-17-35(18-47)11-9-29(49)45-35)41-13-25(43-33)23-7-3-5-21(31(23)37)22-6-4-8-24(32(22)38)26-14-42-28(34(40-2)44-26)16-48-19-36(20-48)12-10-30(50)46-36/h3-8,13-14H,9-12,15-20H2,1-2H3,(H,39,43)(H,40,44)(H,45,49)(H,46,50).
What are the key properties of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 713.67 g/mol, XLogP of 4.59, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-chloro-3-[2-chloro-3-[6-(methylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(methylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 139430012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).