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

C38H42Cl2N10O2 — CID 139429413

IUPAC2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CNC(=O)C6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(15-49-19-37(20-49)11-31(51)45-17-37)43-13-27(47-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-14-44-30(36(48-28)42-4-2)16-50-21-38(22-50)12-32(52)46-18-38/h5-10,13-14H,3-4,11-12,15-22H2,1-2H3,(H,41,47)(H,42,48)(H,45,51)(H,46,52)
InChIKeyGVTRWTNSWFIEAF-UHFFFAOYSA-N
MW741.73 g/mol
LogP5.08
Rot. Bonds11

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

2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 139429413) 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-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one
PubChem CID139429413
Molecular FormulaC38H42Cl2N10O2
Molecular Weight741.73 g/mol
Exact Mass740.29
IUPAC Name2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one
SMILESCCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CNC(=O)C6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CNC(=O)C2)C1
InChIInChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(15-49-19-37(20-49)11-31(51)45-17-37)43-13-27(47-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-14-44-30(36(48-28)42-4-2)16-50-21-38(22-50)12-32(52)46-18-38/h5-10,13-14H,3-4,11-12,15-22H2,1-2H3,(H,41,47)(H,42,48)(H,45,51)(H,46,52)
InChIKeyGVTRWTNSWFIEAF-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-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-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one (CID 139429413) is 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-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-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one is CCNc1nc(-c2cccc(-c3cccc(-c4cnc(CN5CC6(CNC(=O)C6)C5)c(NCC)n4)c3Cl)c2Cl)cnc1CN1CC2(CNC(=O)C2)C1.
What is the InChIKey of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is GVTRWTNSWFIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H42Cl2N10O2/c1-3-41-35-29(15-49-19-37(20-49)11-31(51)45-17-37)43-13-27(47-35)25-9-5-7-23(33(25)39)24-8-6-10-26(34(24)40)28-14-44-30(36(48-28)42-4-2)16-50-21-38(22-50)12-32(52)46-18-38/h5-10,13-14H,3-4,11-12,15-22H2,1-2H3,(H,41,47)(H,42,48)(H,45,51)(H,46,52).
What are the key properties of 2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one?
2-[[5-[2-chloro-3-[2-chloro-3-[6-(ethylamino)-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 741.73 g/mol, XLogP of 5.08, 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-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-3-(ethylamino)pyrazin-2-yl]methyl]-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 139429413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).