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

C25H35NO4Si — CID 67400841

IUPAC[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C25H35NO4Si/c1-25(2,3)31(5,6)30-17-7-16-29-20-12-10-19(11-13-20)23(27)22-15-14-21(18-8-9-18)24(26-22)28-4/h10-15,18H,7-9,16-17H2,1-6H3
InChIKeyUXLCNNMVHFDESK-UHFFFAOYSA-N
MW441.64 g/mol
LogP5.99
Rot. Bonds10

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

[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (PubChem CID 67400841) has the molecular formula C25H35NO4Si and a molecular weight of 441.64 g/mol. Its IUPAC name is [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
PubChem CID67400841
Molecular FormulaC25H35NO4Si
Molecular Weight441.64 g/mol
Exact Mass441.23
IUPAC Name[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
SMILESCOc1nc(C(=O)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)ccc1C1CC1
InChIInChI=1S/C25H35NO4Si/c1-25(2,3)31(5,6)30-17-7-16-29-20-12-10-19(11-13-20)23(27)22-15-14-21(18-8-9-18)24(26-22)28-4/h10-15,18H,7-9,16-17H2,1-6H3
InChIKeyUXLCNNMVHFDESK-UHFFFAOYSA-N
XLogP5.99
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.64
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[tert-butyl(dimethyl)silyl]oxyphenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone
CID 67396211
tert-butyl-[4-(5-cyclopropyl-6-methoxy-2-pyridinyl)-4-(4-methylsulfanylphenyl)but-3-enoxy]-dimethylsilane
CID 67396126
(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
[4-[2-[2-[2-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]-(4-chlorophenyl)methanone
CID 164811325
(5R)-5-[2-(4-tert-butylphenyl)-2-(5-cyclopropyl-6-methoxy-2-pyridinyl)ethenyl]pyrrolidin-2-one
CID 67396302
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
bis[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-phenylmethanol
CID 21185148
4-[4-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]phenyl]phenol
CID 142544530
3-cyclopropyl-2-methoxy-6-[1-(4-propan-2-ylphenyl)ethenyl]pyridine
CID 141310429
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767
(4-butoxyphenyl)-(3-methoxypyrazin-2-yl)methanone
CID 105126859

Frequently Asked Questions

What is the IUPAC name of [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The IUPAC name of [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone (CID 67400841) is [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is COc1nc(C(=O)c2ccc(OCCCO[Si](C)(C)C(C)(C)C)cc2)ccc1C1CC1.
What is the InChIKey of [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
The InChIKey is UXLCNNMVHFDESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35NO4Si/c1-25(2,3)31(5,6)30-17-7-16-29-20-12-10-19(11-13-20)23(27)22-15-14-21(18-8-9-18)24(26-22)28-4/h10-15,18H,7-9,16-17H2,1-6H3.
What are the key properties of [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone?
[4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone has a molecular weight of 441.64 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]phenyl]-(5-cyclopropyl-6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 67400841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).