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

C38H42Cl2N10O2 — CID 139429446

IUPAC2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCN(C)c1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(N(C)C)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-47(2)35-29(17-49-19-37(20-49)13-11-31(51)45-37)41-15-27(43-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-42-30(36(44-28)48(3)4)18-50-21-38(22-50)14-12-32(52)46-38/h5-10,15-16H,11-14,17-22H2,1-4H3,(H,45,51)(H,46,52)
InChIKeyKCXGVUGUADWXQG-UHFFFAOYSA-N
MW741.73 g/mol
LogP4.64
Rot. Bonds9

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

2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 139429446) has the molecular formula C38H42Cl2N10O2 and a molecular weight of 741.73 g/mol. Its IUPAC name is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID139429446
Molecular FormulaC38H42Cl2N10O2
Molecular Weight741.73 g/mol
Exact Mass740.29
IUPAC Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCN(C)c1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(N(C)C)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-47(2)35-29(17-49-19-37(20-49)13-11-31(51)45-37)41-15-27(43-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-42-30(36(44-28)48(3)4)18-50-21-38(22-50)14-12-32(52)46-38/h5-10,15-16H,11-14,17-22H2,1-4H3,(H,45,51)(H,46,52)
InChIKeyKCXGVUGUADWXQG-UHFFFAOYSA-N
XLogP4.64
TPSA122.72 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.73
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)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-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 139429446) is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)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-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)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-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is CN(C)c1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(N(C)C)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is KCXGVUGUADWXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Cl2N10O2/c1-47(2)35-29(17-49-19-37(20-49)13-11-31(51)45-37)41-15-27(43-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-42-30(36(44-28)48(3)4)18-50-21-38(22-50)14-12-32(52)46-38/h5-10,15-16H,11-14,17-22H2,1-4H3,(H,45,51)(H,46,52).
What are the key properties of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[5-[2-chloro-3-[2-chloro-3-[6-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 741.73 g/mol, XLogP of 4.64, 9 rotatable bonds, 2 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-(dimethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(dimethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 139429446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).