2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

C30H33F2IN6O2Si — CID 164870589

IUPAC2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3I)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H33F2IN6O2Si/c1-19-36-24-11-22(5-7-26(24)39(19)18-40-9-10-42(2,3)4)41-27-8-6-23-29(28(27)33)37-25(15-34-23)21-14-35-38(17-21)16-20-12-30(31,32)13-20/h5-8,11,14-15,17,20H,9-10,12-13,16,18H2,1-4H3
InChIKeyNVWWRLVZDDCIRH-UHFFFAOYSA-N
MW702.62 g/mol
LogP7.91
Rot. Bonds10

About 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870589) has the molecular formula C30H33F2IN6O2Si and a molecular weight of 702.62 g/mol. Its IUPAC name is 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870589
Molecular FormulaC30H33F2IN6O2Si
Molecular Weight702.62 g/mol
Exact Mass702.14
IUPAC Name2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3I)ccc2n1COCC[Si](C)(C)C
InChIInChI=1S/C30H33F2IN6O2Si/c1-19-36-24-11-22(5-7-26(24)39(19)18-40-9-10-42(2,3)4)41-27-8-6-23-29(28(27)33)37-25(15-34-23)21-14-35-38(17-21)16-20-12-30(31,32)13-20/h5-8,11,14-15,17,20H,9-10,12-13,16,18H2,1-4H3
InChIKeyNVWWRLVZDDCIRH-UHFFFAOYSA-N
XLogP7.91
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.62
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane 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

6-Fluoro-8-methoxy-3,4-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,5-a]quinoxaline
CID 42630188
6-Fluoro-3,4-dimethyl-1-(3-methylpyridin-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,5-a]quinoxaline
CID 49821305
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]pyridin-2-amine
CID 137550075
2-[[3-(1-Methylpyrazol-4-yl)benzimidazol-5-yl]oxymethyl]quinoline
CID 76331836
N-[(4-methoxyphenyl)methyl]-1-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzimidazol-2-amine
CID 145951848
1-methyl-5-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 145952159
N-(4-fluorophenyl)-1-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzimidazol-2-amine
CID 145952494
1-methyl-5-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxy-N-[4-(trifluoromethoxy)phenyl]benzimidazol-2-amine
CID 145954667
1-methyl-5-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 145956253
N-(4-methoxyphenyl)-1-methyl-5-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)oxybenzimidazol-2-amine
CID 145956614
5-[7-ethoxy-1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-2-yl]-N,N-diethylpyridin-2-amine
CID 166631766
US11691963, Example I-36-b
CID 157041916

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870589) is 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2cc(Oc3ccc4ncc(-c5cnn(CC6CC(F)(F)C6)c5)nc4c3I)ccc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is NVWWRLVZDDCIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F2IN6O2Si/c1-19-36-24-11-22(5-7-26(24)39(19)18-40-9-10-42(2,3)4)41-27-8-6-23-29(28(27)33)37-25(15-34-23)21-14-35-38(17-21)16-20-12-30(31,32)13-20/h5-8,11,14-15,17,20H,9-10,12-13,16,18H2,1-4H3.
What are the key properties of 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 702.62 g/mol, XLogP of 7.91, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-[1-[(3,3-difluorocyclobutyl)methyl]pyrazol-4-yl]-5-iodoquinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).