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

C38H42Cl2N10O2 — CID 139429415

IUPAC2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(17-49-19-37(20-49)13-11-31(51)47-37)43-15-27(45-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-44-30(36(46-28)42-4-2)18-50-21-38(22-50)14-12-32(52)48-38/h5-10,15-16H,3-4,11-14,17-22H2,1-2H3,(H,41,45)(H,42,46)(H,47,51)(H,48,52)
InChIKeyGPZQSUASUUJBRH-UHFFFAOYSA-N
MW741.73 g/mol
LogP5.37
Rot. Bonds11

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

2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (PubChem CID 139429415) 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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
PubChem CID139429415
Molecular FormulaC38H42Cl2N10O2
Molecular Weight741.73 g/mol
Exact Mass740.29
IUPAC Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one
SMILESCCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(17-49-19-37(20-49)13-11-31(51)47-37)43-15-27(45-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-44-30(36(46-28)42-4-2)18-50-21-38(22-50)14-12-32(52)48-38/h5-10,15-16H,3-4,11-14,17-22H2,1-2H3,(H,41,45)(H,42,46)(H,47,51)(H,48,52)
InChIKeyGPZQSUASUUJBRH-UHFFFAOYSA-N
XLogP5.37
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.73
LogP ≤ 55.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one (CID 139429415) is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is CCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CCC(=O)N6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CCC(=O)N2)C1.
What is the InChIKey of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
The InChIKey is GPZQSUASUUJBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(17-49-19-37(20-49)13-11-31(51)47-37)43-15-27(45-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-16-44-30(36(46-28)42-4-2)18-50-21-38(22-50)14-12-32(52)48-38/h5-10,15-16H,3-4,11-14,17-22H2,1-2H3,(H,41,45)(H,42,46)(H,47,51)(H,48,52).
What are the key properties of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one?
2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one has a molecular weight of 741.73 g/mol, XLogP of 5.37, 11 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-(ethylamino)-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,5-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 139429415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).