tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane

C30H37N7OSSi — CID 86696262

IUPACtert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5c4)n3c2)cn1
InChIInChI=1S/C30H37N7OSSi/c1-30(2,3)40(5,6)38-25-11-13-36(14-12-25)24-15-22-16-26(8-9-27(22)31-18-24)39-29-34-33-28-10-7-21(20-37(28)29)23-17-32-35(4)19-23/h7-10,15-20,25H,11-14H2,1-6H3
InChIKeyNMCDPRDVBRFQME-UHFFFAOYSA-N
MW571.83 g/mol
LogP6.82
Rot. Bonds6

About tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane

tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane (PubChem CID 86696262) has the molecular formula C30H37N7OSSi and a molecular weight of 571.83 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane
PubChem CID86696262
Molecular FormulaC30H37N7OSSi
Molecular Weight571.83 g/mol
Exact Mass571.25
IUPAC Nametert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5c4)n3c2)cn1
InChIInChI=1S/C30H37N7OSSi/c1-30(2,3)40(5,6)38-25-11-13-36(14-12-25)24-15-22-16-26(8-9-27(22)31-18-24)39-29-34-33-28-10-7-21(20-37(28)29)23-17-32-35(4)19-23/h7-10,15-20,25H,11-14H2,1-6H3
InChIKeyNMCDPRDVBRFQME-UHFFFAOYSA-N
XLogP6.82
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.83
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane (CID 86696262) is tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane is Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(O[Si](C)(C)C(C)(C)C)CC6)cc5c4)n3c2)cn1.
What is the InChIKey of tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane?
The InChIKey is NMCDPRDVBRFQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7OSSi/c1-30(2,3)40(5,6)38-25-11-13-36(14-12-25)24-15-22-16-26(8-9-27(22)31-18-24)39-29-34-33-28-10-7-21(20-37(28)29)23-17-32-35(4)19-23/h7-10,15-20,25H,11-14H2,1-6H3.
What are the key properties of tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane?
tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane has a molecular weight of 571.83 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-yl]oxysilane is sourced from PubChem (CID 86696262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).