[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

C22H28ClNO3Si — CID 58452780

IUPAC[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1C1CC1
InChIInChI=1S/C22H28ClNO3Si/c1-22(2,3)28(5,6)27-19-12-9-15(13-17(19)23)20(25)18-11-10-16(14-7-8-14)21(24-18)26-4/h9-14H,7-8H2,1-6H3
InChIKeyDCFCASMUYGTZSF-UHFFFAOYSA-N
MW418.01 g/mol
LogP6.24
Rot. Bonds6

About [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone

[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (PubChem CID 58452780) has the molecular formula C22H28ClNO3Si and a molecular weight of 418.01 g/mol. Its IUPAC name is [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
PubChem CID58452780
Molecular FormulaC22H28ClNO3Si
Molecular Weight418.01 g/mol
Exact Mass417.15
IUPAC Name[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1C1CC1
InChIInChI=1S/C22H28ClNO3Si/c1-22(2,3)28(5,6)27-19-12-9-15(13-17(19)23)20(25)18-11-10-16(14-7-8-14)21(24-18)26-4/h9-14H,7-8H2,1-6H3
InChIKeyDCFCASMUYGTZSF-UHFFFAOYSA-N
XLogP6.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.01
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-chloro-6-methoxy-2-pyridinyl)methanone
CID 67398382
[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 67396211
(3-chloro-4-propan-2-ylphenyl)-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 58452587
(5-cyclopropyl-6-methoxy-2-pyridinyl)-(4-cyclopropylsulfanyl-3-methylphenyl)methanone
CID 58452885
(3-chloro-4-methoxyphenyl)-(6-methoxy-2-pyridinyl)methanone
CID 70836286
(5R)-5-[(E)-2-[3-chloro-4-(trifluoromethyl)phenyl]-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398778
tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
CID 67396126
3-[tert-butyl(dimethyl)silyl]oxy-4-methoxybenzoyl chloride
CID 10979521
3-cyclopropyl-2-methoxy-6-[1-(4-propan-2-ylphenyl)ethenyl]pyridine
CID 141310429
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
(5R)-5-[(E)-2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-(5-chloro-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67398498
(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67396302

Frequently Asked Questions

What is the IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (CID 58452780) is [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is COc1nc(C(=O)c2ccc(O[Si](C)(C)C(C)(C)C)c(Cl)c2)ccc1C1CC1.
What is the InChIKey of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The InChIKey is DCFCASMUYGTZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClNO3Si/c1-22(2,3)28(5,6)27-19-12-9-15(13-17(19)23)20(25)18-11-10-16(14-7-8-14)21(24-18)26-4/h9-14H,7-8H2,1-6H3.
What are the key properties of [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
[4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone has a molecular weight of 418.01 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[tert-butyl(dimethyl)silyl]oxy-3-chlorophenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 58452780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).