2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one

C160H197BBrF15N8O17SSi4 — CID 161350828

IUPAC2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.CC(=O)Cc1ccc(C2CCC(=O)CC2)cc1.CC(=O)Cc1ccc(C2CCC(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(Br)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(C2CCC(c3ccc(CC(=O)O)cc3)CC2)nc1
InChIInChI=1S/C31H39F3N2O2Si.C31H37F3N2O2Si.C30H37F3N2O3Si.C21H29BO3.C16H20BrF3N2OSi.C16H17F3O4S.C15H18O2/c2*1-22(37)17-23-5-7-24(8-6-23)25-9-11-26(12-10-25)29-14-13-27(19-35-29)30-18-28(31(32,33)34)20-36(30)21-38-15-16-39(2,3)4;1-39(2,3)15-14-38-20-35-19-26(30(31,32)33)17-28(35)25-12-13-27(34-18-25)24-10-8-23(9-11-24)22-6-4-21(5-7-22)16-29(36)37;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-11-22-10-13(16(18,19)20)8-14(22)12-4-5-15(17)21-9-12;1-11(20)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24(21,22)16(17,18)19;1-11(16)10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h5-8,13-14,18-20,25-26H,9-12,15-17,21H2,1-4H3;5-8,11,13-14,18-20,25H,9-10,12,15-17,21H2,1-4H3;4-7,12-13,17-19,23-24H,8-11,14-16,20H2,1-3H3,(H,36,37);6-9,12,18H,10-11,13-14H2,1-5H3;4-5,8-10H,6-7,11H2,1-3H3;2-5,8,14H,6-7,9-10H2,1H3;2-5,14H,6-10H2,1H3
InChIKeyVNXCXTPHNITPLN-UHFFFAOYSA-N
MW3024.47 g/mol
LogP41.94
Rot. Bonds48

About 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one

2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one (PubChem CID 161350828) has the molecular formula C160H197BBrF15N8O17SSi4 and a molecular weight of 3024.47 g/mol. Its IUPAC name is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one.

Molecular Properties

Compound Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one
PubChem CID161350828
Molecular FormulaC160H197BBrF15N8O17SSi4
Molecular Weight3024.47 g/mol
Exact Mass3021.26
IUPAC Name2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.CC(=O)Cc1ccc(C2CCC(=O)CC2)cc1.CC(=O)Cc1ccc(C2CCC(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(Br)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(C2CCC(c3ccc(CC(=O)O)cc3)CC2)nc1
InChIInChI=1S/C31H39F3N2O2Si.C31H37F3N2O2Si.C30H37F3N2O3Si.C21H29BO3.C16H20BrF3N2OSi.C16H17F3O4S.C15H18O2/c2*1-22(37)17-23-5-7-24(8-6-23)25-9-11-26(12-10-25)29-14-13-27(19-35-29)30-18-28(31(32,33)34)20-36(30)21-38-15-16-39(2,3)4;1-39(2,3)15-14-38-20-35-19-26(30(31,32)33)17-28(35)25-12-13-27(34-18-25)24-10-8-23(9-11-24)22-6-4-21(5-7-22)16-29(36)37;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-11-22-10-13(16(18,19)20)8-14(22)12-4-5-15(17)21-9-12;1-11(20)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24(21,22)16(17,18)19;1-11(16)10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h5-8,13-14,18-20,25-26H,9-12,15-17,21H2,1-4H3;5-8,11,13-14,18-20,25H,9-10,12,15-17,21H2,1-4H3;4-7,12-13,17-19,23-24H,8-11,14-16,20H2,1-3H3,(H,36,37);6-9,12,18H,10-11,13-14H2,1-5H3;4-5,8-10H,6-7,11H2,1-3H3;2-5,8,14H,6-7,9-10H2,1H3;2-5,14H,6-10H2,1H3
InChIKeyVNXCXTPHNITPLN-UHFFFAOYSA-N
XLogP41.94
TPSA309.75 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms207
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003024.47
LogP ≤ 541.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-Acetylcyclohexan-1-one;(4-acetylcyclohexen-1-yl) trifluoromethanesulfonate;2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]ethanone;1-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]ethanone;bis([4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]methanol)
CID 157295142
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one
CID 157664414

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one?
The IUPAC name of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one (CID 161350828) is 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one.
What is the SMILES notation for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one?
The canonical SMILES for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one is CC(=O)Cc1ccc(C2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(OS(=O)(=O)C(F)(F)F)CC2)cc1.CC(=O)Cc1ccc(C2CC=C(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.CC(=O)Cc1ccc(C2CCC(=O)CC2)cc1.CC(=O)Cc1ccc(C2CCC(c3ccc(-c4cc(C(F)(F)F)cn4COCC[Si](C)(C)C)cn3)CC2)cc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(Br)nc1.C[Si](C)(C)CCOCn1cc(C(F)(F)F)cc1-c1ccc(C2CCC(c3ccc(CC(=O)O)cc3)CC2)nc1.
What is the InChIKey of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one?
The InChIKey is VNXCXTPHNITPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39F3N2O2Si.C31H37F3N2O2Si.C30H37F3N2O3Si.C21H29BO3.C16H20BrF3N2OSi.C16H17F3O4S.C15H18O2/c2*1-22(37)17-23-5-7-24(8-6-23)25-9-11-26(12-10-25)29-14-13-27(19-35-29)30-18-28(31(32,33)34)20-36(30)21-38-15-16-39(2,3)4;1-39(2,3)15-14-38-20-35-19-26(30(31,32)33)17-28(35)25-12-13-27(34-18-25)24-10-8-23(9-11-24)22-6-4-21(5-7-22)16-29(36)37;1-15(23)14-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-24-20(2,3)21(4,5)25-22;1-24(2,3)7-6-23-11-22-10-13(16(18,19)20)8-14(22)12-4-5-15(17)21-9-12;1-11(20)10-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24(21,22)16(17,18)19;1-11(16)10-12-2-4-13(5-3-12)14-6-8-15(17)9-7-14/h5-8,13-14,18-20,25-26H,9-12,15-17,21H2,1-4H3;5-8,11,13-14,18-20,25H,9-10,12,15-17,21H2,1-4H3;4-7,12-13,17-19,23-24H,8-11,14-16,20H2,1-3H3,(H,36,37);6-9,12,18H,10-11,13-14H2,1-5H3;4-5,8-10H,6-7,11H2,1-3H3;2-5,8,14H,6-7,9-10H2,1H3;2-5,14H,6-10H2,1H3.
What are the key properties of 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one?
2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one has a molecular weight of 3024.47 g/mol, XLogP of 41.94, 48 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-bromo-3-pyridinyl)-4-(trifluoromethyl)pyrrol-1-yl]methoxy]ethyl-trimethylsilane;4-[4-(2-oxopropyl)phenyl]cyclohexan-1-one;[4-[4-(2-oxopropyl)phenyl]cyclohexen-1-yl] trifluoromethanesulfonate;1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]phenyl]propan-2-one;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohex-3-en-1-yl]phenyl]propan-2-one;2-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]acetic acid;1-[4-[4-[5-[4-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-2-yl]-2-pyridinyl]cyclohexyl]phenyl]propan-2-one is sourced from PubChem (CID 161350828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).