cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol

C24H30BrF3N4O2Si — CID 150658279

IUPACcis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(N[C@H]3CCC[C@H]3O)ncc2C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C24H30BrF3N4O2Si/c1-35(2,3)10-9-34-14-32-13-17(16-8-7-15(25)11-20(16)32)22-18(24(26,27)28)12-29-23(31-22)30-19-5-4-6-21(19)33/h7-8,11-13,19,21,33H,4-6,9-10,14H2,1-3H3,(H,29,30,31)/t19-,21+/m0/s1
InChIKeyJDHVRUSVWHXOGK-PZJWPPBQSA-N
MW571.51 g/mol
LogP6.52
Rot. Bonds8

About cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol

cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol (PubChem CID 150658279) has the molecular formula C24H30BrF3N4O2Si and a molecular weight of 571.51 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol
PubChem CID150658279
Molecular FormulaC24H30BrF3N4O2Si
Molecular Weight571.51 g/mol
Exact Mass570.13
IUPAC Namecis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(N[C@H]3CCC[C@H]3O)ncc2C(F)(F)F)c2ccc(Br)cc21
InChIInChI=1S/C24H30BrF3N4O2Si/c1-35(2,3)10-9-34-14-32-13-17(16-8-7-15(25)11-20(16)32)22-18(24(26,27)28)12-29-23(31-22)30-19-5-4-6-21(19)33/h7-8,11-13,19,21,33H,4-6,9-10,14H2,1-3H3,(H,29,30,31)/t19-,21+/m0/s1
InChIKeyJDHVRUSVWHXOGK-PZJWPPBQSA-N
XLogP6.52
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.51
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol 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 cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol (CID 150658279) is cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol is C[Si](C)(C)CCOCn1cc(-c2nc(N[C@H]3CCC[C@H]3O)ncc2C(F)(F)F)c2ccc(Br)cc21.
What is the InChIKey of cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol?
The InChIKey is JDHVRUSVWHXOGK-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H30BrF3N4O2Si/c1-35(2,3)10-9-34-14-32-13-17(16-8-7-15(25)11-20(16)32)22-18(24(26,27)28)12-29-23(31-22)30-19-5-4-6-21(19)33/h7-8,11-13,19,21,33H,4-6,9-10,14H2,1-3H3,(H,29,30,31)/t19-,21+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol?
cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol has a molecular weight of 571.51 g/mol, XLogP of 6.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 150658279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).