4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide

C33H41ClN8O3Si — CID 164870530

IUPAC4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(C(=O)N(C)C)CC6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C33H41ClN8O3Si/c1-22-37-26-8-7-25(17-29(26)41(22)21-44-15-16-46(4,5)6)45-30-10-9-27-32(31(30)34)38-28(19-35-27)23-18-36-42(20-23)24-11-13-40(14-12-24)33(43)39(2)3/h7-10,17-20,24H,11-16,21H2,1-6H3
InChIKeyVANWIRAFWAVKKR-UHFFFAOYSA-N
MW661.28 g/mol
LogP7.23
Rot. Bonds9

About 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 164870530) has the molecular formula C33H41ClN8O3Si and a molecular weight of 661.28 g/mol. Its IUPAC name is 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID164870530
Molecular FormulaC33H41ClN8O3Si
Molecular Weight661.28 g/mol
Exact Mass660.28
IUPAC Name4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(C(=O)N(C)C)CC6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C33H41ClN8O3Si/c1-22-37-26-8-7-25(17-29(26)41(22)21-44-15-16-46(4,5)6)45-30-10-9-27-32(31(30)34)38-28(19-35-27)23-18-36-42(20-23)24-11-13-40(14-12-24)33(43)39(2)3/h7-10,17-20,24H,11-16,21H2,1-6H3
InChIKeyVANWIRAFWAVKKR-UHFFFAOYSA-N
XLogP7.23
TPSA103.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.28
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Related Compounds

tert-butyl (3S,4S)-4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-3-fluoropiperidine-1-carboxylate
CID 164870502
4-[2-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]ethyl]piperidine-1-carboxylic acid
CID 174156004
5-[[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]-1,1-dioxothiazinane-2-carboxylic acid
CID 174156026
2-[[6-[5-chloro-3-[1-[(4-methylsulfanylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870777
1-[[6-[5-chloro-3-[1-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562282
1-[[6-[5-chloro-3-[1-(3,3-difluorocyclobutyl)pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562319
1-[[6-[5-chloro-3-[1-[(4-methylsulfonylcyclohexyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562298
2-[4-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]piperidin-1-yl]acetamide
CID 164870646
1-[[6-[5-chloro-3-[1-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562251
tert-butyl 2-[[4-[8-chloro-7-[2-methyl-1-(1-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
CID 170562254
2-[[6-[5-(cyclopenten-1-yl)-3-[1-[[1-(oxan-2-yloxy)cyclopropyl]methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164870902
2-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 164870992

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 164870530) is 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CCN(C(=O)N(C)C)CC6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is VANWIRAFWAVKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41ClN8O3Si/c1-22-37-26-8-7-25(17-29(26)41(22)21-44-15-16-46(4,5)6)45-30-10-9-27-32(31(30)34)38-28(19-35-27)23-18-36-42(20-23)24-11-13-40(14-12-24)33(43)39(2)3/h7-10,17-20,24H,11-16,21H2,1-6H3.
What are the key properties of 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 661.28 g/mol, XLogP of 7.23, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[8-chloro-7-[2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 164870530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).