2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

C68H74BBrCl2F9N15O4Si2 — CID 160847488

IUPAC2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCC(Cl)Cl.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3c2)c(-c2cccc(C(F)(F)F)n2)n1.C[Si](C)(C)CCOCn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3nccn3c2)n1
InChIInChI=1S/C22H24F3N5OSi.C16H10F3N5.C15H19BrF3N3OSi.C13H17BN2O2.C2H4Cl2/c1-32(2,3)12-11-31-15-30-14-17(16-7-8-20-26-9-10-29(20)13-16)21(28-30)18-5-4-6-19(27-18)22(23,24)25;17-16(18,19)13-3-1-2-12(22-13)15-11(8-21-23-15)10-4-5-14-20-6-7-24(14)9-10;1-24(2,3)8-7-23-10-22-9-11(16)14(21-22)12-5-4-6-13(20-12)15(17,18)19;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2(3)4/h4-10,13-14H,11-12,15H2,1-3H3;1-9H,(H,21,23);4-6,9H,7-8,10H2,1-3H3;5-9H,1-4H3;2H,1H3
InChIKeySIVGKAPOEVQLGO-UHFFFAOYSA-N
MW1554.22 g/mol
LogP17.88
Rot. Bonds16

About 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine

2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (PubChem CID 160847488) has the molecular formula C68H74BBrCl2F9N15O4Si2 and a molecular weight of 1554.22 g/mol. Its IUPAC name is 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
PubChem CID160847488
Molecular FormulaC68H74BBrCl2F9N15O4Si2
Molecular Weight1554.22 g/mol
Exact Mass1551.41
IUPAC Name2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine
SMILESCC(Cl)Cl.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3c2)c(-c2cccc(C(F)(F)F)n2)n1.C[Si](C)(C)CCOCn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3nccn3c2)n1
InChIInChI=1S/C22H24F3N5OSi.C16H10F3N5.C15H19BrF3N3OSi.C13H17BN2O2.C2H4Cl2/c1-32(2,3)12-11-31-15-30-14-17(16-7-8-20-26-9-10-29(20)13-16)21(28-30)18-5-4-6-19(27-18)22(23,24)25;17-16(18,19)13-3-1-2-12(22-13)15-11(8-21-23-15)10-4-5-14-20-6-7-24(14)9-10;1-24(2,3)8-7-23-10-22-9-11(16)14(21-22)12-5-4-6-13(20-12)15(17,18)19;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2(3)4/h4-10,13-14H,11-12,15H2,1-3H3;1-9H,(H,21,23);4-6,9H,7-8,10H2,1-3H3;5-9H,1-4H3;2H,1H3
InChIKeySIVGKAPOEVQLGO-UHFFFAOYSA-N
XLogP17.88
TPSA191.81 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms102
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.22
LogP ≤ 517.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine (CID 160847488) is 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is CC(Cl)Cl.CC1(C)OB(c2ccc3nccn3c2)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3c2)c(-c2cccc(C(F)(F)F)n2)n1.C[Si](C)(C)CCOCn1cc(Br)c(-c2cccc(C(F)(F)F)n2)n1.FC(F)(F)c1cccc(-c2[nH]ncc2-c2ccc3nccn3c2)n1.
What is the InChIKey of 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is SIVGKAPOEVQLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N5OSi.C16H10F3N5.C15H19BrF3N3OSi.C13H17BN2O2.C2H4Cl2/c1-32(2,3)12-11-31-15-30-14-17(16-7-8-20-26-9-10-29(20)13-16)21(28-30)18-5-4-6-19(27-18)22(23,24)25;17-16(18,19)13-3-1-2-12(22-13)15-11(8-21-23-15)10-4-5-14-20-6-7-24(14)9-10;1-24(2,3)8-7-23-10-22-9-11(16)14(21-22)12-5-4-6-13(20-12)15(17,18)19;1-12(2)13(3,4)18-14(17-12)10-5-6-11-15-7-8-16(11)9-10;1-2(3)4/h4-10,13-14H,11-12,15H2,1-3H3;1-9H,(H,21,23);4-6,9H,7-8,10H2,1-3H3;5-9H,1-4H3;2H,1H3.
What are the key properties of 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine?
2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 1554.22 g/mol, XLogP of 17.88, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-bromo-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;1,1-dichloroethane;2-[[4-imidazo[1,2-a]pyridin-6-yl-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine;6-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 160847488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).