CID 175969492

C19H25ClIN4O2Si — CID 175969492

IUPAC—
SMILESCCCCc1c(Cl)cc(OC)c2c(I)cn(-c3cn(CCO[Si](C)C)nn3)c12
InChIInChI=1S/C19H25ClIN4O2Si/c1-5-6-7-13-14(20)10-16(26-2)18-15(21)11-25(19(13)18)17-12-24(23-22-17)8-9-27-28(3)4/h10-12H,5-9H2,1-4H3
InChIKeySCZHLXKTEUGBKW-UHFFFAOYSA-N
MW531.88 g/mol
LogP5.10
Rot. Bonds9

About CID 175969492

CID 175969492 (PubChem CID 175969492) has the molecular formula C19H25ClIN4O2Si and a molecular weight of 531.88 g/mol.

Molecular Properties

Compound NameCID 175969492
PubChem CID175969492
Molecular FormulaC19H25ClIN4O2Si
Molecular Weight531.88 g/mol
Exact Mass531.05
IUPAC Name—
SMILESCCCCc1c(Cl)cc(OC)c2c(I)cn(-c3cn(CCO[Si](C)C)nn3)c12
InChIInChI=1S/C19H25ClIN4O2Si/c1-5-6-7-13-14(20)10-16(26-2)18-15(21)11-25(19(13)18)17-12-24(23-22-17)8-9-27-28(3)4/h10-12H,5-9H2,1-4H3
InChIKeySCZHLXKTEUGBKW-UHFFFAOYSA-N
XLogP5.10
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.88
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

US20230391786, Example 161
CID 170795241
Tert-butyl-[2-[4-(6-chloro-3-iodo-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550395
Tert-butyl-[2-[4-[6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]indol-1-yl]triazol-1-yl]ethoxy]-dimethylsilane
CID 170550447
Tert-butyl-[2-[4-(6-chloro-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550451
Tert-butyl-[2-[4-(6-chloro-3-iodo-5-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550462
Tert-butyl-[2-[4-(6-chloro-4-methoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550482
Tert-butyl-[2-[4-(6,7-dichloro-4-phenylmethoxyindol-1-yl)triazol-1-yl]ethoxy]-dimethylsilane
CID 170550512
2-[1-[1-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]triazol-4-yl]-6,7-dichloroindol-4-yl]oxyacetonitrile
CID 170550515
6-chloro-4-methoxy-3-[1-(oxan-2-yl)pyrazol-4-yl]-1-(2H-triazol-4-yl)indole
CID 175969494

Frequently Asked Questions

What is the IUPAC name of CID 175969492?
The IUPAC name of CID 175969492 (CID 175969492) is not available.
What is the SMILES notation for CID 175969492?
The canonical SMILES for CID 175969492 is CCCCc1c(Cl)cc(OC)c2c(I)cn(-c3cn(CCO[Si](C)C)nn3)c12.
What is the InChIKey of CID 175969492?
The InChIKey is SCZHLXKTEUGBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClIN4O2Si/c1-5-6-7-13-14(20)10-16(26-2)18-15(21)11-25(19(13)18)17-12-24(23-22-17)8-9-27-28(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of CID 175969492?
CID 175969492 has a molecular weight of 531.88 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175969492 is sourced from PubChem (CID 175969492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).