tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate

C30H44F2N2O4Si — CID 174075842

IUPACtert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)(c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)c(F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C30H44F2N2O4Si/c1-27(2,3)37-26(35)33-18-30(36,20-13-14-20)23-17-22(29(7,8)38-39(9,10)28(4,5)6)24(32)25(34-23)19-11-15-21(31)16-12-19/h11-12,15-17,20,36H,13-14,18H2,1-10H3,(H,33,35)
InChIKeyQTMRXISPJYYJSV-UHFFFAOYSA-N
MW562.77 g/mol
LogP7.41
Rot. Bonds8

About tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate

tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate (PubChem CID 174075842) has the molecular formula C30H44F2N2O4Si and a molecular weight of 562.77 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate
PubChem CID174075842
Molecular FormulaC30H44F2N2O4Si
Molecular Weight562.77 g/mol
Exact Mass562.30
IUPAC Nametert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(O)(c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)c(F)c(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C30H44F2N2O4Si/c1-27(2,3)37-26(35)33-18-30(36,20-13-14-20)23-17-22(29(7,8)38-39(9,10)28(4,5)6)24(32)25(34-23)19-11-15-21(31)16-12-19/h11-12,15-17,20,36H,13-14,18H2,1-10H3,(H,33,35)
InChIKeyQTMRXISPJYYJSV-UHFFFAOYSA-N
XLogP7.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.77
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate (CID 174075842) is tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate is CC(C)(C)OC(=O)NCC(O)(c1cc(C(C)(C)O[Si](C)(C)C(C)(C)C)c(F)c(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate?
The InChIKey is QTMRXISPJYYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H44F2N2O4Si/c1-27(2,3)37-26(35)33-18-30(36,20-13-14-20)23-17-22(29(7,8)38-39(9,10)28(4,5)6)24(32)25(34-23)19-11-15-21(31)16-12-19/h11-12,15-17,20,36H,13-14,18H2,1-10H3,(H,33,35).
What are the key properties of tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate?
tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate has a molecular weight of 562.77 g/mol, XLogP of 7.41, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-fluoro-6-(4-fluorophenyl)-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]carbamate is sourced from PubChem (CID 174075842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).