1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one

C46H34N8O2 — CID 123521321

IUPAC1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one
SMILESCc1[nH]nc2cc(-c3cccc(Cn4c(=O)cnc5c(-c6cc(-c7cccc(Cn8c(=O)cnc9ccccc98)c7)c7cn(C)nc7c6)cccc54)c3)ccc12
InChIInChI=1S/C46H34N8O2/c1-28-35-17-16-32(21-40(35)50-49-28)31-10-5-8-29(18-31)26-54-43-15-7-12-36(46(43)48-24-45(54)56)34-20-37(38-27-52(2)51-41(38)22-34)33-11-6-9-30(19-33)25-53-42-14-4-3-13-39(42)47-23-44(53)55/h3-24,27H,25-26H2,1-2H3,(H,49,50)
InChIKeyCQMWQEZQASICMC-UHFFFAOYSA-N
MW730.83 g/mol
LogP8.28
Rot. Bonds7

About 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one

1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one (PubChem CID 123521321) has the molecular formula C46H34N8O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one.

Molecular Properties

Compound Name1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one
PubChem CID123521321
Molecular FormulaC46H34N8O2
Molecular Weight730.83 g/mol
Exact Mass730.28
IUPAC Name1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one
SMILESCc1[nH]nc2cc(-c3cccc(Cn4c(=O)cnc5c(-c6cc(-c7cccc(Cn8c(=O)cnc9ccccc98)c7)c7cn(C)nc7c6)cccc54)c3)ccc12
InChIInChI=1S/C46H34N8O2/c1-28-35-17-16-32(21-40(35)50-49-28)31-10-5-8-29(18-31)26-54-43-15-7-12-36(46(43)48-24-45(54)56)34-20-37(38-27-52(2)51-41(38)22-34)33-11-6-9-30(19-33)25-53-42-14-4-3-13-39(42)47-23-44(53)55/h3-24,27H,25-26H2,1-2H3,(H,49,50)
InChIKeyCQMWQEZQASICMC-UHFFFAOYSA-N
XLogP8.28
TPSA116.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(naphthalen-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25205317
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
CID 118960270
N-[3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]phenyl]acetamide
CID 71682457
3-[3-[1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 155527917
1-(2,6-Difluoro-4-(2-methyl-2H-indazol-4-yl)benzyl)quinoxalin-2(1 h)-one
CID 86298474
US11247989, Example 54
CID 132186429
2-[3,5-dimethyl-4-[6-(trifluoromethyl)-1H-indazol-4-yl]pyrazol-1-yl]-N,N-dimethylacetamide
CID 89782857
2-(3,5-dimethyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)-1H-pyrazol-1-yl)-N-isopropylacetamide
CID 89783119
1-[[2-fluoro-4-(1H-indazol-6-yl)phenyl]methyl]quinoxalin-2-one
CID 117686673
1-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]quinoxalin-2-one
CID 117686760
1-[[2-Fluoro-4-(2-methylindazol-4-yl)phenyl]methyl]quinoxalin-2-one
CID 117686771

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one?
The IUPAC name of 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one (CID 123521321) is 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one.
What is the SMILES notation for 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one?
The canonical SMILES for 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one is Cc1[nH]nc2cc(-c3cccc(Cn4c(=O)cnc5c(-c6cc(-c7cccc(Cn8c(=O)cnc9ccccc98)c7)c7cn(C)nc7c6)cccc54)c3)ccc12.
What is the InChIKey of 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one?
The InChIKey is CQMWQEZQASICMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N8O2/c1-28-35-17-16-32(21-40(35)50-49-28)31-10-5-8-29(18-31)26-54-43-15-7-12-36(46(43)48-24-45(54)56)34-20-37(38-27-52(2)51-41(38)22-34)33-11-6-9-30(19-33)25-53-42-14-4-3-13-39(42)47-23-44(53)55/h3-24,27H,25-26H2,1-2H3,(H,49,50).
What are the key properties of 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one?
1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one has a molecular weight of 730.83 g/mol, XLogP of 8.28, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]-5-[2-methyl-4-[3-[(2-oxoquinoxalin-1-yl)methyl]phenyl]indazol-6-yl]quinoxalin-2-one is sourced from PubChem (CID 123521321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).