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

C32H38ClN7O3Si — CID 170562251

IUPAC1-[[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
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CCN6C[C@@H]7C[C@H]6CO7)c5)nc4c3Cl)cc2n1COC(C)[Si](C)(C)C
InChIInChI=1S/C32H38ClN7O3Si/c1-20-36-26-7-6-24(13-29(26)40(20)19-42-21(2)44(3,4)5)43-30-9-8-27-32(31(30)33)37-28(15-34-27)22-14-35-39(16-22)11-10-38-17-25-12-23(38)18-41-25/h6-9,13-16,21,23,25H,10-12,17-19H2,1-5H3/t21?,23-,25-/m0/s1
InChIKeyVGBDXBGSVWAWQX-XIAJTGEISA-N
MW632.24 g/mol
LogP6.31
Rot. Bonds10

About 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

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 (PubChem CID 170562251) has the molecular formula C32H38ClN7O3Si and a molecular weight of 632.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[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
PubChem CID170562251
Molecular FormulaC32H38ClN7O3Si
Molecular Weight632.24 g/mol
Exact Mass631.25
IUPAC Name1-[[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
SMILESCc1nc2ccc(Oc3ccc4ncc(-c5cnn(CCN6C[C@@H]7C[C@H]6CO7)c5)nc4c3Cl)cc2n1COC(C)[Si](C)(C)C
InChIInChI=1S/C32H38ClN7O3Si/c1-20-36-26-7-6-24(13-29(26)40(20)19-42-21(2)44(3,4)5)43-30-9-8-27-32(31(30)33)37-28(15-34-27)22-14-35-39(16-22)11-10-38-17-25-12-23(38)18-41-25/h6-9,13-16,21,23,25H,10-12,17-19H2,1-5H3/t21?,23-,25-/m0/s1
InChIKeyVGBDXBGSVWAWQX-XIAJTGEISA-N
XLogP6.31
TPSA92.35 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.24
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(CCN6C[C@@H]7C[C@H]6CO7)c5)nc4c3Cl)cc2n1COC(C)[Si](C)(C)C.
What is the InChIKey of 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?
The InChIKey is VGBDXBGSVWAWQX-XIAJTGEISA-N. The full InChI is InChI=1S/C32H38ClN7O3Si/c1-20-36-26-7-6-24(13-29(26)40(20)19-42-21(2)44(3,4)5)43-30-9-8-27-32(31(30)33)37-28(15-34-27)22-14-35-39(16-22)11-10-38-17-25-12-23(38)18-41-25/h6-9,13-16,21,23,25H,10-12,17-19H2,1-5H3/t21?,23-,25-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 632.24 g/mol, XLogP of 6.31, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170562251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).