tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane

C32H39N5OSi — CID 71739811

IUPACtert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1
InChIInChI=1S/C32H39N5OSi/c1-32(2,3)39(4,5)38-29-13-11-28(12-14-29)36-22-27(20-34-36)24-9-10-26-19-35-37(31(26)18-24)21-23-8-15-30-25(17-23)7-6-16-33-30/h6-10,15-20,22,28-29H,11-14,21H2,1-5H3
InChIKeyKFHKXMBLOGYCPH-UHFFFAOYSA-N
MW537.78 g/mol
LogP8.00
Rot. Bonds6

About tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane (PubChem CID 71739811) has the molecular formula C32H39N5OSi and a molecular weight of 537.78 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane
PubChem CID71739811
Molecular FormulaC32H39N5OSi
Molecular Weight537.78 g/mol
Exact Mass537.29
IUPAC Nametert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1
InChIInChI=1S/C32H39N5OSi/c1-32(2,3)39(4,5)38-29-13-11-28(12-14-29)36-22-27(20-34-36)24-9-10-26-19-35-37(31(26)18-24)21-23-8-15-30-25(17-23)7-6-16-33-30/h6-10,15-20,22,28-29H,11-14,21H2,1-5H3
InChIKeyKFHKXMBLOGYCPH-UHFFFAOYSA-N
XLogP8.00
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.78
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane (CID 71739811) is tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane is CC(C)(C)[Si](C)(C)OC1CCC(n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1.
What is the InChIKey of tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane?
The InChIKey is KFHKXMBLOGYCPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5OSi/c1-32(2,3)39(4,5)38-29-13-11-28(12-14-29)36-22-27(20-34-36)24-9-10-26-19-35-37(31(26)18-24)21-23-8-15-30-25(17-23)7-6-16-33-30/h6-10,15-20,22,28-29H,11-14,21H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane?
tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane has a molecular weight of 537.78 g/mol, XLogP of 8.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[4-[1-(quinolin-6-ylmethyl)indazol-6-yl]pyrazol-1-yl]cyclohexyl]oxysilane is sourced from PubChem (CID 71739811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).