methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate

C63H75N9O10Si2 — CID 158786798

IUPACmethyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate
SMILESCOC(=O)C(C)C1=NC(Cc2nc3cc(OCC4CC4)c(C#N)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)C(C)c1nn(Cc2nc3cc(C#N)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C32H38N4O5Si.C31H37N5O5Si/c1-20(32(38)39-2)30-31(37)24-9-7-6-8-23(24)25(35-30)16-29-34-26-15-28(41-18-21-10-11-21)22(17-33)14-27(26)36(29)19-40-12-13-42(3,4)5;1-20(31(38)39-2)29-30(37)23-8-6-7-9-25(23)36(34-29)17-28-33-24-14-22(16-32)27(41-18-21-10-11-21)15-26(24)35(28)19-40-12-13-42(3,4)5/h6-9,14-15,20-21,25H,10-13,16,18-19H2,1-5H3;6-9,14-15,20-21H,10-13,17-19H2,1-5H3
InChIKeyIRTZPIPMSHKLMR-UHFFFAOYSA-N
MW1174.52 g/mol
LogP10.78
Rot. Bonds24

About methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate

methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate (PubChem CID 158786798) has the molecular formula C63H75N9O10Si2 and a molecular weight of 1174.52 g/mol. Its IUPAC name is methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate
PubChem CID158786798
Molecular FormulaC63H75N9O10Si2
Molecular Weight1174.52 g/mol
Exact Mass1173.52
IUPAC Namemethyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate
SMILESCOC(=O)C(C)C1=NC(Cc2nc3cc(OCC4CC4)c(C#N)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)C(C)c1nn(Cc2nc3cc(C#N)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C32H38N4O5Si.C31H37N5O5Si/c1-20(32(38)39-2)30-31(37)24-9-7-6-8-23(24)25(35-30)16-29-34-26-15-28(41-18-21-10-11-21)22(17-33)14-27(26)36(29)19-40-12-13-42(3,4)5;1-20(31(38)39-2)29-30(37)23-8-6-7-9-25(23)36(34-29)17-28-33-24-14-22(16-32)27(41-18-21-10-11-21)15-26(24)35(28)19-40-12-13-42(3,4)5/h6-9,14-15,20-21,25H,10-13,16,18-19H2,1-5H3;6-9,14-15,20-21H,10-13,17-19H2,1-5H3
InChIKeyIRTZPIPMSHKLMR-UHFFFAOYSA-N
XLogP10.78
TPSA237.06 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001174.52
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate 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

methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate
CID 159644863
2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157058148
6-(2,2-difluoroethoxy)-2-[(Z)-(3-oxo-2-benzofuran-1-ylidene)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 162469792
6-(2,2-difluoroethoxy)-2-[(4-oxo-3H-phthalazin-1-yl)methyl]-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile;methyl 2-[4-[[6-cyano-5-(2,2-difluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-1-oxophthalazin-2-yl]-3-(dimethylamino)propanoate;methyl 2-[4-[[6-cyano-5-(2,2-difluoroethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-1-oxophthalazin-2-yl]prop-2-enoate
CID 157286530
6-(2,2-difluoroethoxy)-2-formyl-3-(2-trimethylsilylethoxymethyl)benzimidazole-5-carbonitrile
CID 160588815
2-[6-bromo-9-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)phenanthro[9,10-d]imidazol-2-yl]benzene-1,3-dicarbonitrile
CID 87287642
2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155752260
tert-butyl 2-[4-[[6-cyano-5-(cyclopropylmethoxy)indazol-2-yl]methyl]-1-oxophthalazin-2-yl]acetate
CID 155658361
[2-[4-[[2-(cyclohexylmethyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]phenyl]phenyl] hydrogen carbonate
CID 67756732
3-[[5-[5-[5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 123345295
methyl 2-[6-chloro-3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]-1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 68680030
methyl 4-[1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]indazol-3-yl]benzoate
CID 23517178

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate?
The IUPAC name of methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate (CID 158786798) is methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate.
What is the SMILES notation for methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate?
The canonical SMILES for methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate is COC(=O)C(C)C1=NC(Cc2nc3cc(OCC4CC4)c(C#N)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)C(C)c1nn(Cc2nc3cc(C#N)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate?
The InChIKey is IRTZPIPMSHKLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N4O5Si.C31H37N5O5Si/c1-20(32(38)39-2)30-31(37)24-9-7-6-8-23(24)25(35-30)16-29-34-26-15-28(41-18-21-10-11-21)22(17-33)14-27(26)36(29)19-40-12-13-42(3,4)5;1-20(31(38)39-2)29-30(37)23-8-6-7-9-25(23)36(34-29)17-28-33-24-14-22(16-32)27(41-18-21-10-11-21)15-26(24)35(28)19-40-12-13-42(3,4)5/h6-9,14-15,20-21,25H,10-13,16,18-19H2,1-5H3;6-9,14-15,20-21H,10-13,17-19H2,1-5H3.
What are the key properties of methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate?
methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate has a molecular weight of 1174.52 g/mol, XLogP of 10.78, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate is sourced from PubChem (CID 158786798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).