tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane

C68H80BN15O5Si — CID 158101316

IUPACtert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cnn([C@@H]5CCCC[C@H]5N)c4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(-c5cn[nH]c5)cc4c3)ncn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H27N7.C27H30N6OSi.C14H23BN2O4/c1-17-5-4-7-24(33-17)27-26(30-16-31-27)18-9-10-23-19(11-18)12-20(13-29-23)21-14-32-34(15-21)25-8-3-2-6-22(25)28;1-19-6-5-7-25(32-19)27-26(29-17-33(27)18-34-10-11-35(2,3)4)20-8-9-24-21(12-20)13-22(14-28-24)23-15-30-31-16-23;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h4-5,7,9-16,22,25H,2-3,6,8,28H2,1H3,(H,30,31);5-9,12-17H,10-11,18H2,1-4H3,(H,30,31);8-9H,1-7H3/t22-,25-;;/m1../s1
InChIKeyFPHGFYCXNWCAJL-KNCCDCATSA-N
MW1226.39 g/mol
LogP13.44
Rot. Bonds13

About tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane

tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane (PubChem CID 158101316) has the molecular formula C68H80BN15O5Si and a molecular weight of 1226.39 g/mol. Its IUPAC name is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
PubChem CID158101316
Molecular FormulaC68H80BN15O5Si
Molecular Weight1226.39 g/mol
Exact Mass1225.63
IUPAC Nametert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
SMILESCC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cnn([C@@H]5CCCC[C@H]5N)c4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(-c5cn[nH]c5)cc4c3)ncn2COCC[Si](C)(C)C)n1
InChIInChI=1S/C27H27N7.C27H30N6OSi.C14H23BN2O4/c1-17-5-4-7-24(33-17)27-26(30-16-31-27)18-9-10-23-19(11-18)12-20(13-29-23)21-14-32-34(15-21)25-8-3-2-6-22(25)28;1-19-6-5-7-25(32-19)27-26(29-17-33(27)18-34-10-11-35(2,3)4)20-8-9-24-21(12-20)13-22(14-28-24)23-15-30-31-16-23;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h4-5,7,9-16,22,25H,2-3,6,8,28H2,1H3,(H,30,31);5-9,12-17H,10-11,18H2,1-4H3,(H,30,31);8-9H,1-7H3/t22-,25-;;/m1../s1
InChIKeyFPHGFYCXNWCAJL-KNCCDCATSA-N
XLogP13.44
TPSA242.39 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001226.39
LogP ≤ 513.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane
CID 156686536
tert-butyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-(trifluoromethylsulfonyloxy)-3-azaspiro[5.5]undec-9-ene-3-carboxylate;9-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-3-azaspiro[5.5]undec-9-ene;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-(3-spiro[5.5]undec-3-en-3-ylquinolin-6-yl)imidazol-1-yl]methoxy]ethyl]silane
CID 158324925
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;methyl 2-bromo-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;methyl 2-[6-[5-(6-methyl-2-pyridinyl)-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate;2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylic acid;[(3S)-pyrrolidin-3-yl] 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]-1,3-thiazole-4-carboxylate
CID 157362695
3-(1-ethylpyrazol-4-yl)-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167367234
tert-butyl 2-[(1R)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]acetate;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;(1R)-4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]cyclohex-3-en-1-amine;2-[(1R)-4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]cyclohex-3-en-1-yl]-1-[(2S)-pyrrolidin-2-yl]ethanone
CID 158898196
trans-(1R,2R)-2-[4-[6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine
CID 146661843
[(2R)-piperidin-2-yl]methyl 2-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyridine-4-carboxylate
CID 167366794
2-[[5-(7-bromo-1,5-naphthyridin-2-yl)-4-(6-methyl-2-pyridinyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 156686509
tert-butyl (4S)-2,2-dimethyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 142603673
tert-butyl (4R)-2,2-dimethyl-4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methyl]-1,3-oxazolidine-3-carboxylate
CID 142603809
6-bromo-2-chloroquinoxaline;6-bromo-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine;tert-butyl 4-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]quinoxalin-6-yl]pyrazole-1-carboxylate;(1R)-1-(3-methoxyphenyl)ethanamine;N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)quinoxalin-2-amine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158759779
3-[2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrimidin-5-yl]-6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinoline
CID 167366837

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane (CID 158101316) is tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane is CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1.Cc1cccc(-c2[nH]cnc2-c2ccc3ncc(-c4cnn([C@@H]5CCCC[C@H]5N)c4)cc3c2)n1.Cc1cccc(-c2c(-c3ccc4ncc(-c5cn[nH]c5)cc4c3)ncn2COCC[Si](C)(C)C)n1.
What is the InChIKey of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane?
The InChIKey is FPHGFYCXNWCAJL-KNCCDCATSA-N. The full InChI is InChI=1S/C27H27N7.C27H30N6OSi.C14H23BN2O4/c1-17-5-4-7-24(33-17)27-26(30-16-31-27)18-9-10-23-19(11-18)12-20(13-29-23)21-14-32-34(15-21)25-8-3-2-6-22(25)28;1-19-6-5-7-25(32-19)27-26(29-17-33(27)18-34-10-11-35(2,3)4)20-8-9-24-21(12-20)13-22(14-28-24)23-15-30-31-16-23;1-12(2,3)19-11(18)17-9-10(8-16-17)15-20-13(4,5)14(6,7)21-15/h4-5,7,9-16,22,25H,2-3,6,8,28H2,1H3,(H,30,31);5-9,12-17H,10-11,18H2,1-4H3,(H,30,31);8-9H,1-7H3/t22-,25-;;/m1../s1.
What are the key properties of tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane?
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1226.39 g/mol, XLogP of 13.44, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;trans-(1R,2R)-2-[4-[6-[5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]quinolin-3-yl]pyrazol-1-yl]cyclohexan-1-amine;trimethyl-[2-[[5-(6-methyl-2-pyridinyl)-4-[3-(1H-pyrazol-4-yl)quinolin-6-yl]imidazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 158101316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).