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

C35H44ClN7O5Si — CID 170562254

IUPACtert-butyl 2-[[4-[8-chloro-7-[2-methyl-1-(1-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
SMILESCc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)CCO6)c5)nc4c3Cl)ccc2n1COC(C)[Si](C)(C)C
InChIInChI=1S/C35H44ClN7O5Si/c1-22-39-28-15-25(9-11-30(28)43(22)21-46-23(2)49(6,7)8)47-31-12-10-27-33(32(31)36)40-29(17-37-27)24-16-38-42(18-24)20-26-19-41(13-14-45-26)34(44)48-35(3,4)5/h9-12,15-18,23,26H,13-14,19-21H2,1-8H3
InChIKeyFUQZHANIRBOVEW-UHFFFAOYSA-N
MW706.32 g/mol
LogP7.47
Rot. Bonds9

About 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

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 (PubChem CID 170562254) has the molecular formula C35H44ClN7O5Si and a molecular weight of 706.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-butyl 2-[[4-[8-chloro-7-[2-methyl-1-(1-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
PubChem CID170562254
Molecular FormulaC35H44ClN7O5Si
Molecular Weight706.32 g/mol
Exact Mass705.29
IUPAC Nametert-butyl 2-[[4-[8-chloro-7-[2-methyl-1-(1-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]methyl]morpholine-4-carboxylate
SMILESCc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)CCO6)c5)nc4c3Cl)ccc2n1COC(C)[Si](C)(C)C
InChIInChI=1S/C35H44ClN7O5Si/c1-22-39-28-15-25(9-11-30(28)43(22)21-46-23(2)49(6,7)8)47-31-12-10-27-33(32(31)36)40-29(17-37-27)24-16-38-42(18-24)20-26-19-41(13-14-45-26)34(44)48-35(3,4)5/h9-12,15-18,23,26H,13-14,19-21H2,1-8H3
InChIKeyFUQZHANIRBOVEW-UHFFFAOYSA-N
XLogP7.47
TPSA118.65 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.32
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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 (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
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-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 170562282
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
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
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
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
1-[4-[8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]quinoxalin-2-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 164870619
8-chloro-7-[(2-methyl-3H-benzimidazol-5-yl)oxy]-2-[1-[(4-methylsulfonylcyclohexyl)methyl]pyrazol-4-yl]quinoxaline
CID 164870750
tert-butyl 3,4-bis[[4-(8-bromo-7-hydroxyquinoxalin-2-yl)pyrazol-1-yl]methyl]piperidine-1-carboxylate
CID 175505311

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CN(C(=O)OC(C)(C)C)CCO6)c5)nc4c3Cl)ccc2n1COC(C)[Si](C)(C)C.
What is the InChIKey of 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?
The InChIKey is FUQZHANIRBOVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44ClN7O5Si/c1-22-39-28-15-25(9-11-30(28)43(22)21-46-23(2)49(6,7)8)47-31-12-10-27-33(32(31)36)40-29(17-37-27)24-16-38-42(18-24)20-26-19-41(13-14-45-26)34(44)48-35(3,4)5/h9-12,15-18,23,26H,13-14,19-21H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 706.32 g/mol, XLogP of 7.47, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170562254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).