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

C31H35ClF2N6O2Si — CID 164870559

IUPAC2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CCC(F)(F)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C31H35ClF2N6O2Si/c1-20-37-24-6-5-23(13-27(24)40(20)19-41-11-12-43(2,3)4)42-28-8-7-25-30(29(28)32)38-26(16-35-25)22-15-36-39(18-22)17-21-9-10-31(33,34)14-21/h5-8,13,15-16,18,21H,9-12,14,17,19H2,1-4H3
InChIKeyOFGHORWKRGOYCU-UHFFFAOYSA-N
MW625.20 g/mol
LogP8.34
Rot. Bonds10

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

2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 164870559) has the molecular formula C31H35ClF2N6O2Si and a molecular weight of 625.20 g/mol. Its IUPAC name is 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID164870559
Molecular FormulaC31H35ClF2N6O2Si
Molecular Weight625.20 g/mol
Exact Mass624.22
IUPAC Name2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CCC(F)(F)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C
InChIInChI=1S/C31H35ClF2N6O2Si/c1-20-37-24-6-5-23(13-27(24)40(20)19-41-11-12-43(2,3)4)42-28-8-7-25-30(29(28)32)38-26(16-35-25)22-15-36-39(18-22)17-21-9-10-31(33,34)14-21/h5-8,13,15-16,18,21H,9-12,14,17,19H2,1-4H3
InChIKeyOFGHORWKRGOYCU-UHFFFAOYSA-N
XLogP8.34
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.20
LogP ≤ 58.34
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'}

Analyze 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-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

CID 164870498
CID 164870498
CID 164870502
CID 164870502
CID 164870510
CID 164870510
CID 164870512
CID 164870512
CID 164870518
CID 164870518
CID 164870520
CID 164870520
CID 164870525
CID 164870525
CID 164870539
CID 164870539
CID 164870541
CID 164870541
CID 164870548
CID 164870548
CID 164870549
CID 164870549
CID 164870571
CID 164870571

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane (CID 164870559) is 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CC6CCC(F)(F)C6)c5)nc4c3Cl)cc2n1COCC[Si](C)(C)C.
What is the InChIKey of 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is OFGHORWKRGOYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClF2N6O2Si/c1-20-37-24-6-5-23(13-27(24)40(20)19-41-11-12-43(2,3)4)42-28-8-7-25-30(29(28)32)38-26(16-35-25)22-15-36-39(18-22)17-21-9-10-31(33,34)14-21/h5-8,13,15-16,18,21H,9-12,14,17,19H2,1-4H3.
What are the key properties of 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 625.20 g/mol, XLogP of 8.34, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-chloro-3-[1-[(3,3-difluorocyclopentyl)methyl]pyrazol-4-yl]quinoxalin-6-yl]oxy-2-methylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164870559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).