1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine

C32H42F7N5O3Si — CID 87798016

IUPAC1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1n[nH]nc1CN1CCOC(O[C@H](CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1
InChIInChI=1S/C32H42F7N5O3Si/c1-30(2,3)48(6,7)46-19-27(21-14-22(31(34,35)36)16-23(15-21)32(37,38)39)47-29-28(20-8-10-24(33)11-9-20)44(12-13-45-29)18-26-25(17-43(4)5)40-42-41-26/h8-11,14-16,27-29H,12-13,17-19H2,1-7H3,(H,40,41,42)/t27-,28?,29?/m1/s1
InChIKeyMKCQNESAXDKNII-JMYZALGVSA-N
MW705.79 g/mol
LogP7.72
Rot. Bonds11

About 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine

1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine (PubChem CID 87798016) has the molecular formula C32H42F7N5O3Si and a molecular weight of 705.79 g/mol. Its IUPAC name is 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
PubChem CID87798016
Molecular FormulaC32H42F7N5O3Si
Molecular Weight705.79 g/mol
Exact Mass705.29
IUPAC Name1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1n[nH]nc1CN1CCOC(O[C@H](CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1
InChIInChI=1S/C32H42F7N5O3Si/c1-30(2,3)48(6,7)46-19-27(21-14-22(31(34,35)36)16-23(15-21)32(37,38)39)47-29-28(20-8-10-24(33)11-9-20)44(12-13-45-29)18-26-25(17-43(4)5)40-42-41-26/h8-11,14-16,27-29H,12-13,17-19H2,1-7H3,(H,40,41,42)/t27-,28?,29?/m1/s1
InChIKeyMKCQNESAXDKNII-JMYZALGVSA-N
XLogP7.72
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.79
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine (CID 87798016) is 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine is CN(C)Cc1n[nH]nc1CN1CCOC(O[C@H](CO[Si](C)(C)C(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccc(F)cc1.
What is the InChIKey of 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine?
The InChIKey is MKCQNESAXDKNII-JMYZALGVSA-N. The full InChI is InChI=1S/C32H42F7N5O3Si/c1-30(2,3)48(6,7)46-19-27(21-14-22(31(34,35)36)16-23(15-21)32(37,38)39)47-29-28(20-8-10-24(33)11-9-20)44(12-13-45-29)18-26-25(17-43(4)5)40-42-41-26/h8-11,14-16,27-29H,12-13,17-19H2,1-7H3,(H,40,41,42)/t27-,28?,29?/m1/s1.
What are the key properties of 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine?
1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine has a molecular weight of 705.79 g/mol, XLogP of 7.72, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 87798016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).