11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one

C68H74N8O8 — CID 123383865

IUPAC11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one
SMILESCOc1cc2[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccc(CN4CCC6(CC4)CCN(CCOc4cc7cc(C(=O)N8CC9CC9%10C8=CC(=O)c8ccccc8%10)[nH]c7cc4OC)C6)cc35)cc2cc1OCCN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C68H74N8O8/c1-71-16-10-65(40-71)11-17-72(18-12-65)22-24-83-59-29-43-28-54(70-51(43)31-57(59)81-2)64(80)76-39-46-36-68(46)50-26-42(8-9-48(50)56(78)34-62(68)76)37-73-19-13-66(14-20-73)15-21-74(41-66)23-25-84-60-30-44-27-53(69-52(44)32-58(60)82-3)63(79)75-38-45-35-67(45)49-7-5-4-6-47(49)55(77)33-61(67)75/h4-9,26-34,45-46,69-70H,10-25,35-41H2,1-3H3
InChIKeyVNEVTVUWAOSQOL-UHFFFAOYSA-N
MW1131.39 g/mol
LogP8.82
Rot. Bonds14

About 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one

11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one (PubChem CID 123383865) has the molecular formula C68H74N8O8 and a molecular weight of 1131.39 g/mol. Its IUPAC name is 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one.

Molecular Properties

Compound Name11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one
PubChem CID123383865
Molecular FormulaC68H74N8O8
Molecular Weight1131.39 g/mol
Exact Mass1130.56
IUPAC Name11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one
SMILESCOc1cc2[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccc(CN4CCC6(CC4)CCN(CCOc4cc7cc(C(=O)N8CC9CC9%10C8=CC(=O)c8ccccc8%10)[nH]c7cc4OC)C6)cc35)cc2cc1OCCN1CCC2(CCN(C)C2)CC1
InChIInChI=1S/C68H74N8O8/c1-71-16-10-65(40-71)11-17-72(18-12-65)22-24-83-59-29-43-28-54(70-51(43)31-57(59)81-2)64(80)76-39-46-36-68(46)50-26-42(8-9-48(50)56(78)34-62(68)76)37-73-19-13-66(14-20-73)15-21-74(41-66)23-25-84-60-30-44-27-53(69-52(44)32-58(60)82-3)63(79)75-38-45-35-67(45)49-7-5-4-6-47(49)55(77)33-61(67)75/h4-9,26-34,45-46,69-70H,10-25,35-41H2,1-3H3
InChIKeyVNEVTVUWAOSQOL-UHFFFAOYSA-N
XLogP8.82
TPSA156.22 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001131.39
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one?
The IUPAC name of 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one (CID 123383865) is 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one.
What is the SMILES notation for 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one?
The canonical SMILES for 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one is COc1cc2[nH]c(C(=O)N3CC4CC45C3=CC(=O)c3ccc(CN4CCC6(CC4)CCN(CCOc4cc7cc(C(=O)N8CC9CC9%10C8=CC(=O)c8ccccc8%10)[nH]c7cc4OC)C6)cc35)cc2cc1OCCN1CCC2(CCN(C)C2)CC1.
What is the InChIKey of 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one?
The InChIKey is VNEVTVUWAOSQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74N8O8/c1-71-16-10-65(40-71)11-17-72(18-12-65)22-24-83-59-29-43-28-54(70-51(43)31-57(59)81-2)64(80)76-39-46-36-68(46)50-26-42(8-9-48(50)56(78)34-62(68)76)37-73-19-13-66(14-20-73)15-21-74(41-66)23-25-84-60-30-44-27-53(69-52(44)32-58(60)82-3)63(79)75-38-45-35-67(45)49-7-5-4-6-47(49)55(77)33-61(67)75/h4-9,26-34,45-46,69-70H,10-25,35-41H2,1-3H3.
What are the key properties of 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one?
11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one has a molecular weight of 1131.39 g/mol, XLogP of 8.82, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[6-methoxy-5-[2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethoxy]-1H-indole-2-carbonyl]-4-[[2-[2-[[6-methoxy-2-(8-oxo-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2,4,6,9-tetraene-11-carbonyl)-1H-indol-5-yl]oxy]ethyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]-11-azatetracyclo[8.4.0.01,13.02,7]tetradeca-2(7),3,5,9-tetraen-8-one is sourced from PubChem (CID 123383865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).