CID 70043305

C33H41F3N3O5Si — CID 70043305

IUPAC—
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C33H41F3N3O5Si/c1-22(2)32(44-45(6)7,29(31(3,4)5)33(34,35)36)38-27(40)20-39-26(24-16-12-9-13-17-24)19-18-25(28(39)41)37-30(42)43-21-23-14-10-8-11-15-23/h8-19,22,29H,20-21H2,1-7H3,(H,37,42)(H,38,40)
InChIKeyPFQSZMYXHWOIFM-UHFFFAOYSA-N
MW644.79 g/mol
LogP7.22
Rot. Bonds11

About CID 70043305

CID 70043305 (PubChem CID 70043305) has the molecular formula C33H41F3N3O5Si and a molecular weight of 644.79 g/mol.

Molecular Properties

Compound NameCID 70043305
PubChem CID70043305
Molecular FormulaC33H41F3N3O5Si
Molecular Weight644.79 g/mol
Exact Mass644.28
IUPAC Name—
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C33H41F3N3O5Si/c1-22(2)32(44-45(6)7,29(31(3,4)5)33(34,35)36)38-27(40)20-39-26(24-16-12-9-13-17-24)19-18-25(28(39)41)37-30(42)43-21-23-14-10-8-11-15-23/h8-19,22,29H,20-21H2,1-7H3,(H,37,42)(H,38,40)
InChIKeyPFQSZMYXHWOIFM-UHFFFAOYSA-N
XLogP7.22
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.79
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

{2-Oxo-6-phenyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10369681
{2-Oxo-6-phenethyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10392960
{6-Benzyl-2-oxo-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10030271
{2-Oxo-6-((E)-styryl)-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10347655
{2-Oxo-6-p-tolyl-1-[(3,3,3-trifluoro-1-isopropyl-2-oxo-propylcarbamoyl)-methyl]-1,2-dihydro-pyridin-3-yl}-carbamic acid benzyl ester
CID 10370141
benzyl N-[1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-6-(4-methoxyphenyl)-2-oxopyridin-3-yl]carbamate
CID 10078234
2-[3-benzyloxycarbonylamino-6-(2-chlorophenyl)-2-oxo-1,2-dihydro-1-pyridyl]-N-(2-tert-butyldimethylsilyloxy-3,3,3-trifluoro-1-isopropylpropyl)acetamide
CID 10078275
1-[2-[[2-[Tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylic acid
CID 10628405
Ethyl 1-[2-[[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-(phenylmethoxycarbonylamino)pyridine-4-carboxylate
CID 10676346
2-(3-benzyloxycarbonylamino-2-oxo-6-phenyl-1,2-dihydro-1-pyridyl)-N-[3,3-difluoro-1-isopropyl-2-oxo-3-(N-phenethylcarbamoyl)propyl]acetamide
CID 19695810
benzyl N-[6-(4-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3-pyridinyl]carbamate
CID 19695814
benzyl N-[1-[2-[[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluoro-2-methyl-6-oxo-6-(2-phenylethylamino)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-6-phenyl-3-pyridinyl]carbamate
CID 19695849

Frequently Asked Questions

What is the IUPAC name of CID 70043305?
The IUPAC name of CID 70043305 (CID 70043305) is not available.
What is the SMILES notation for CID 70043305?
The canonical SMILES for CID 70043305 is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccccc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F.
What is the InChIKey of CID 70043305?
The InChIKey is PFQSZMYXHWOIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H41F3N3O5Si/c1-22(2)32(44-45(6)7,29(31(3,4)5)33(34,35)36)38-27(40)20-39-26(24-16-12-9-13-17-24)19-18-25(28(39)41)37-30(42)43-21-23-14-10-8-11-15-23/h8-19,22,29H,20-21H2,1-7H3,(H,37,42)(H,38,40).
What are the key properties of CID 70043305?
CID 70043305 has a molecular weight of 644.79 g/mol, XLogP of 7.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70043305 is sourced from PubChem (CID 70043305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).