CID 67747645

C32H40F3N4O5Si — CID 67747645

IUPAC—
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C32H40F3N4O5Si/c1-21(2)31(44-45(6)7,28(30(3,4)5)32(33,34)35)38-26(40)19-39-25(23-11-9-8-10-12-23)14-13-24(27(39)41)37-29(42)43-20-22-15-17-36-18-16-22/h8-18,21,28H,19-20H2,1-7H3,(H,37,42)(H,38,40)
InChIKeyUWCWAUKRASKQLG-UHFFFAOYSA-N
MW645.78 g/mol
LogP6.62
Rot. Bonds11

About CID 67747645

CID 67747645 (PubChem CID 67747645) has the molecular formula C32H40F3N4O5Si and a molecular weight of 645.78 g/mol.

Molecular Properties

Compound NameCID 67747645
PubChem CID67747645
Molecular FormulaC32H40F3N4O5Si
Molecular Weight645.78 g/mol
Exact Mass645.27
IUPAC Name—
SMILESCC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C32H40F3N4O5Si/c1-21(2)31(44-45(6)7,28(30(3,4)5)32(33,34)35)38-26(40)19-39-25(23-11-9-8-10-12-23)14-13-24(27(39)41)37-29(42)43-20-22-15-17-36-18-16-22/h8-18,21,28H,19-20H2,1-7H3,(H,37,42)(H,38,40)
InChIKeyUWCWAUKRASKQLG-UHFFFAOYSA-N
XLogP6.62
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.78
LogP ≤ 56.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

benzyl N-[2-oxo-1-[2-oxo-2-(1,1,1-trifluoropropan-2-ylamino)ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 139631472
CID 67747688
CID 67747688
CID 70086300
CID 70086300
benzyl N-[1-[2-[[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]amino]-2-oxoethyl]-2-oxo-3-pyridinyl]carbamate
CID 173250177
benzyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-pyridin-3-yl-3-pyridinyl]carbamate
CID 10459716
N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[2-oxo-3-(pentylamino)-6-phenyl-1-pyridinyl]acetamide
CID 173250234
N-[3-dimethylsilyloxy-2,5,5-trimethyl-4-(trifluoromethyl)hexan-3-yl]-2-[6-oxo-2-phenyl-5-(pyridin-4-ylmethylcarbamoylamino)pyrimidin-1-yl]acetamide
CID 173364256
1H-imidazol-5-ylmethyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate;2,2,2-trifluoroacetic acid
CID 86749524
methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 10456684
pyridin-4-ylmethyl N-[2-(4-fluorophenyl)-6-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]pyrimidin-5-yl]carbamate
CID 10347501
(2,5-dioxopyrrolidin-1-yl)methyl N-[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamate
CID 22405483
N-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenyl-3-pyridinyl]carbamoyl]pyridine-4-carboxamide
CID 54263297

Frequently Asked Questions

What is the IUPAC name of CID 67747645?
The IUPAC name of CID 67747645 (CID 67747645) is not available.
What is the SMILES notation for CID 67747645?
The canonical SMILES for CID 67747645 is CC(C)C(NC(=O)Cn1c(-c2ccccc2)ccc(NC(=O)OCc2ccncc2)c1=O)(O[Si](C)C)C(C(C)(C)C)C(F)(F)F.
What is the InChIKey of CID 67747645?
The InChIKey is UWCWAUKRASKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40F3N4O5Si/c1-21(2)31(44-45(6)7,28(30(3,4)5)32(33,34)35)38-26(40)19-39-25(23-11-9-8-10-12-23)14-13-24(27(39)41)37-29(42)43-20-22-15-17-36-18-16-22/h8-18,21,28H,19-20H2,1-7H3,(H,37,42)(H,38,40).
What are the key properties of CID 67747645?
CID 67747645 has a molecular weight of 645.78 g/mol, XLogP of 6.62, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67747645 is sourced from PubChem (CID 67747645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).