2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione

C36H32Cl2N8O6 — CID 146207053

IUPAC2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(C5)NC(=O)NC6=O)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C36H32Cl2N8O6/c1-51-29-19(13-45-15-35(16-45)31(47)41-33(49)43-35)9-11-25(39-29)23-7-3-5-21(27(23)37)22-6-4-8-24(28(22)38)26-12-10-20(30(40-26)52-2)14-46-17-36(18-46)32(48)42-34(50)44-36/h3-12H,13-18H2,1-2H3,(H2,41,43,47,49)(H2,42,44,48,50)
InChIKeyNUUDIVSQNRDJGA-UHFFFAOYSA-N
MW743.61 g/mol
LogP3.59
Rot. Bonds9

About 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione

2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione (PubChem CID 146207053) has the molecular formula C36H32Cl2N8O6 and a molecular weight of 743.61 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione
PubChem CID146207053
Molecular FormulaC36H32Cl2N8O6
Molecular Weight743.61 g/mol
Exact Mass742.18
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(C5)NC(=O)NC6=O)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C36H32Cl2N8O6/c1-51-29-19(13-45-15-35(16-45)31(47)41-33(49)43-35)9-11-25(39-29)23-7-3-5-21(27(23)37)22-6-4-8-24(28(22)38)26-12-10-20(30(40-26)52-2)14-46-17-36(18-46)32(48)42-34(50)44-36/h3-12H,13-18H2,1-2H3,(H2,41,43,47,49)(H2,42,44,48,50)
InChIKeyNUUDIVSQNRDJGA-UHFFFAOYSA-N
XLogP3.59
TPSA167.12 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.61
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione with MolForge

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Related Compounds

6-[[6-[2-chloro-3-[2-chloro-3-[5-(1,6-diazaspiro[3.3]heptan-6-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-1,6-diazaspiro[3.3]heptane
CID 146250656
2-[[6-[2-chloro-3-[2-chloro-3-[5-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,6-diazaspiro[3.3]heptane
CID 146250861
2-[[6-[2-chloro-3-[4-chloro-5-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]-3-pyridinyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 170696812
2-[[6-[3-[3-[5-[(1S)-1-aminoethyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206636
2-[[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146198755
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-3-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]oxy]acetonitrile
CID 146198764
1-[4-[[6-[3-[3-[5-[(4-acetylpiperazin-1-yl)methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 146207008
2-[[4-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,5-diazaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-(hydroxymethyl)phenyl]methyl]-2,5-diazaspiro[3.4]octan-6-one
CID 146206831
2-[1-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2-azaspiro[3.4]octan-2-yl)methyl]-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]azetidin-3-yl]acetic acid
CID 158448013
2-[[6-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[(6-oxo-2,7-diazaspiro[3.4]octan-2-yl)methyl]pyrazin-2-yl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,7-diazaspiro[3.4]octan-6-one
CID 139430327
2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6-hydroxy-5-oxa-2,7-diazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
CID 146250648
(3aS,7aR)-6-[[6-[3-[3-[5-[[(3aR,7aS)-2-oxo-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-6-yl]methyl]-6-methoxy-2-pyridinyl]-2-chlorophenyl]-2-chlorophenyl]-2-methoxy-3-pyridinyl]methyl]-3,3a,4,5,7,7a-hexahydro-1H-pyrrolo[2,3-c]pyridin-2-one
CID 146206833

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione (CID 146207053) is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione is COc1nc(-c2cccc(-c3cccc(-c4ccc(CN5CC6(C5)NC(=O)NC6=O)c(OC)n4)c3Cl)c2Cl)ccc1CN1CC2(C1)NC(=O)NC2=O.
What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The InChIKey is NUUDIVSQNRDJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32Cl2N8O6/c1-51-29-19(13-45-15-35(16-45)31(47)41-33(49)43-35)9-11-25(39-29)23-7-3-5-21(27(23)37)22-6-4-8-24(28(22)38)26-12-10-20(30(40-26)52-2)14-46-17-36(18-46)32(48)42-34(50)44-36/h3-12H,13-18H2,1-2H3,(H2,41,43,47,49)(H2,42,44,48,50).
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione?
2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione has a molecular weight of 743.61 g/mol, XLogP of 3.59, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(6,8-dioxo-2,5,7-triazaspiro[3.4]octan-2-yl)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-2,5,7-triazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 146207053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).