6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane

C32H26Br2Cl2F6N6OSi — CID 163729406

IUPAC6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21.FC(F)(F)c1cnc(Cl)nc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C19H20BrClF3N3OSi.C13H6BrClF3N3/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17;14-6-1-2-7-8(4-19-10(7)3-6)11-9(13(16,17)18)5-20-12(15)21-11/h4-5,8-10H,6-7,11H2,1-3H3;1-5,19H
InChIKeyKYHNRZMAQMWYCR-UHFFFAOYSA-N
MW883.39 g/mol
LogP11.90
Rot. Bonds7

About 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane

6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163729406) has the molecular formula C32H26Br2Cl2F6N6OSi and a molecular weight of 883.39 g/mol. Its IUPAC name is 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163729406
Molecular FormulaC32H26Br2Cl2F6N6OSi
Molecular Weight883.39 g/mol
Exact Mass879.96
IUPAC Name6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21.FC(F)(F)c1cnc(Cl)nc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C19H20BrClF3N3OSi.C13H6BrClF3N3/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17;14-6-1-2-7-8(4-19-10(7)3-6)11-9(13(16,17)18)5-20-12(15)21-11/h4-5,8-10H,6-7,11H2,1-3H3;1-5,19H
InChIKeyKYHNRZMAQMWYCR-UHFFFAOYSA-N
XLogP11.90
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.39
LogP ≤ 511.90
H-Bond Donors ≤ 51
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 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

4-(6-bromo-1H-indol-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 53362272
6-fluoro-3-(7-{[2-(trimethylsilyl)ethoxy]methyl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-indole
CID 129601569
N-[(3S)-1-benzyl-5,5-dimethylpiperidin-3-yl]-4-(6-bromo-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 139330828
(1R,2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentan-1-ol
CID 150658279
(3R,5S)-1-benzyl-5-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-3-ol
CID 150879483
N-[(3S)-1-benzyl-5,5-dimethylpiperidin-3-yl]-4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 151071401
tert-butyl N-[(2S)-2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]cyclopentyl]carbamate
CID 151398847
2-[[6-Bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane
CID 158226496
sodium;3-(2-chloropyrimidin-4-yl)-1H-indole;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;deuterio(fluoro)methane;hydride;2,2,2-trifluoroethyl trifluoromethanesulfonate
CID 159609440
10-(2-chloropyrimidin-4-yl)-7,7-difluoro-8,9-dihydro-6H-pyrido[1,2-a]indole;1H-indole
CID 160045736
3-(2-chloropyrimidin-4-yl)-1H-indole;3-(2-chloropyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)indole;methane;2,2,2-trifluoroethyl trifluoromethanesulfonate
CID 162160866
Tert-butyl 2-[[4-[6-bromo-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 162423540

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane (CID 163729406) is 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2nc(Cl)ncc2C(F)(F)F)c2ccc(Br)cc21.FC(F)(F)c1cnc(Cl)nc1-c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KYHNRZMAQMWYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClF3N3OSi.C13H6BrClF3N3/c1-29(2,3)7-6-28-11-27-10-14(13-5-4-12(20)8-16(13)27)17-15(19(22,23)24)9-25-18(21)26-17;14-6-1-2-7-8(4-19-10(7)3-6)11-9(13(16,17)18)5-20-12(15)21-11/h4-5,8-10H,6-7,11H2,1-3H3;1-5,19H.
What are the key properties of 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane?
6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 883.39 g/mol, XLogP of 11.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]-1H-indole;2-[[6-bromo-3-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163729406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).