tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine

C124H159F3N30O9Si2 — CID 158312605

IUPACtert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine
SMILESC.C.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cn3)nc2)[nH]1.CN[C@@H](C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5)[nH]c4C(F)(F)F)cc3)cc2)[nH]1.COC(=O)N[C@@H](C(=O)N(C)[C@@H](C)c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1)c1ccccc1.C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)NC(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)cn3)nc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C42H66N8O6Si2.C33H35N9O3.C26H27F3N6.C21H23N7.2CH4/c1-29(47-39(51)55-41(3,4)5)37-45-25-35(49(37)27-53-19-21-57(9,10)11)31-15-17-33(43-23-31)34-18-16-32(24-44-34)36-26-46-38(30(2)48-40(52)56-42(6,7)8)50(36)28-54-20-22-58(12,13)14;1-20(42(2)32(43)28(41-33(44)45-3)22-8-5-4-6-9-22)29-37-18-26(39-29)21-11-13-23(14-12-21)30-35-16-24(17-36-30)27-19-38-31(40-27)25-10-7-15-34-25;1-15(30-2)24-32-14-21(33-24)18-9-5-16(6-10-18)17-7-11-19(12-8-17)22-23(26(27,28)29)35-25(34-22)20-4-3-13-31-20;1-12(2)20-25-10-18(27-20)14-4-6-16(23-8-14)17-7-5-15(9-24-17)19-11-26-21(28-19)13(3)22;;/h15-18,23-26,29-30H,19-22,27-28H2,1-14H3,(H,47,51)(H,48,52);4-6,8-9,11-14,16-20,25,28,34H,7,10,15H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);5-12,14-15,20,30-31H,3-4,13H2,1-2H3,(H,32,33)(H,34,35);4-13H,22H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t29-,30-;20-,25-,28+;15-,20-;13-;;/m0000../s1
InChIKeyGNVZBCQRYSNFPH-UZDYADRXSA-N
MW2327.00 g/mol
LogP25.83
Rot. Bonds37

About tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine

tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine (PubChem CID 158312605) has the molecular formula C124H159F3N30O9Si2 and a molecular weight of 2327.00 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine
PubChem CID158312605
Molecular FormulaC124H159F3N30O9Si2
Molecular Weight2327.00 g/mol
Exact Mass2325.24
IUPAC Nametert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine
SMILESC.C.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cn3)nc2)[nH]1.CN[C@@H](C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5)[nH]c4C(F)(F)F)cc3)cc2)[nH]1.COC(=O)N[C@@H](C(=O)N(C)[C@@H](C)c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1)c1ccccc1.C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)NC(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)cn3)nc2)n1COCC[Si](C)(C)C
InChIInChI=1S/C42H66N8O6Si2.C33H35N9O3.C26H27F3N6.C21H23N7.2CH4/c1-29(47-39(51)55-41(3,4)5)37-45-25-35(49(37)27-53-19-21-57(9,10)11)31-15-17-33(43-23-31)34-18-16-32(24-44-34)36-26-46-38(30(2)48-40(52)56-42(6,7)8)50(36)28-54-20-22-58(12,13)14;1-20(42(2)32(43)28(41-33(44)45-3)22-8-5-4-6-9-22)29-37-18-26(39-29)21-11-13-23(14-12-21)30-35-16-24(17-36-30)27-19-38-31(40-27)25-10-7-15-34-25;1-15(30-2)24-32-14-21(33-24)18-9-5-16(6-10-18)17-7-11-19(12-8-17)22-23(26(27,28)29)35-25(34-22)20-4-3-13-31-20;1-12(2)20-25-10-18(27-20)14-4-6-16(23-8-14)17-7-5-15(9-24-17)19-11-26-21(28-19)13(3)22;;/h15-18,23-26,29-30H,19-22,27-28H2,1-14H3,(H,47,51)(H,48,52);4-6,8-9,11-14,16-20,25,28,34H,7,10,15H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);5-12,14-15,20,30-31H,3-4,13H2,1-2H3,(H,32,33)(H,34,35);4-13H,22H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t29-,30-;20-,25-,28+;15-,20-;13-;;/m0000../s1
InChIKeyGNVZBCQRYSNFPH-UZDYADRXSA-N
XLogP25.83
TPSA500.93 Ų
H-Bond Donors13
H-Bond Acceptors29
Rotatable Bonds37
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002327.00
LogP ≤ 525.83
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-[(1R)-2-[(2S)-2-[5-[5-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-pyridyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
CID 49773238
methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-pyridinyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 57339471
methyl N-[(1R)-2-[(2S)-2-[5-[2-[4-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59166559
methyl N-[(1R)-2-[(2S)-2-[5-[6-[4-[2-[(1S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenyl-acetyl]-1$l^{5}-azolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-pyridyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
CID 86578944
methyl N-[(1R)-2-[(1S)-2-[5-[5-[4-[2-[(1S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenyl-acetyl]-1$l^{5}-azolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2-pyridyl]-1H-imidazol-2-yl]-1$l^{5}-azolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
CID 86578989
methyl N-[(1R)-2-[(1S)-2-[5-[2-[4-[2-[(1S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenyl-acetyl]-1$l^{5}-azolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrimidin-5-yl]-1H-imidazol-2-yl]-1$l^{5}-azolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
CID 86578991
methyl N-[(1R)-2-[(2R)-2-[5-[4-[4-[2-[(2R)-1-[(2R)-2-(methoxycarbonylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-4-(trifluoromethyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenyl-ethyl]carbamate
CID 49773679
(2S)-3-methyl-2-[(4-methylpyrimidin-2-yl)amino]-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-3-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-1-one
CID 57610945
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(2R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58032032
methyl N-[(2S)-1-[(2S)-2-[5-[4-[(5R)-1-[3,5-difluoro-4-(4-phenylpiperidin-1-yl)phenyl]-5-[4-[2-[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 58403879
methyl N-[(1S)-2-[1-[5-[4-[4-[2-[2-[(2S)-2-(4-fluorophenyl)-2-(methoxycarbonylamino)acetyl]-2-azabicyclo[2.2.1]heptan-1-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-1-(4-methylphenyl)-2-oxoethyl]carbamate
CID 58566126
methyl N-[2-[(2S)-2-[4-[4-[5-[2-[(2S)-1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-5-(trifluoromethyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 59166324

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine?
The IUPAC name of tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine (CID 158312605) is tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine is C.C.CC(C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)N)[nH]4)cn3)nc2)[nH]1.CN[C@@H](C)c1ncc(-c2ccc(-c3ccc(-c4nc([C@@H]5CCCN5)[nH]c4C(F)(F)F)cc3)cc2)[nH]1.COC(=O)N[C@@H](C(=O)N(C)[C@@H](C)c1ncc(-c2ccc(-c3ncc(-c4cnc([C@@H]5CCCN5)[nH]4)cn3)cc2)[nH]1)c1ccccc1.C[C@H](NC(=O)OC(C)(C)C)c1ncc(-c2ccc(-c3ccc(-c4cnc([C@H](C)NC(=O)OC(C)(C)C)n4COCC[Si](C)(C)C)cn3)nc2)n1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine?
The InChIKey is GNVZBCQRYSNFPH-UZDYADRXSA-N. The full InChI is InChI=1S/C42H66N8O6Si2.C33H35N9O3.C26H27F3N6.C21H23N7.2CH4/c1-29(47-39(51)55-41(3,4)5)37-45-25-35(49(37)27-53-19-21-57(9,10)11)31-15-17-33(43-23-31)34-18-16-32(24-44-34)36-26-46-38(30(2)48-40(52)56-42(6,7)8)50(36)28-54-20-22-58(12,13)14;1-20(42(2)32(43)28(41-33(44)45-3)22-8-5-4-6-9-22)29-37-18-26(39-29)21-11-13-23(14-12-21)30-35-16-24(17-36-30)27-19-38-31(40-27)25-10-7-15-34-25;1-15(30-2)24-32-14-21(33-24)18-9-5-16(6-10-18)17-7-11-19(12-8-17)22-23(26(27,28)29)35-25(34-22)20-4-3-13-31-20;1-12(2)20-25-10-18(27-20)14-4-6-16(23-8-14)17-7-5-15(9-24-17)19-11-26-21(28-19)13(3)22;;/h15-18,23-26,29-30H,19-22,27-28H2,1-14H3,(H,47,51)(H,48,52);4-6,8-9,11-14,16-20,25,28,34H,7,10,15H2,1-3H3,(H,37,39)(H,38,40)(H,41,44);5-12,14-15,20,30-31H,3-4,13H2,1-2H3,(H,32,33)(H,34,35);4-13H,22H2,1-3H3,(H,25,27)(H,26,28);2*1H4/t29-,30-;20-,25-,28+;15-,20-;13-;;/m0000../s1.
What are the key properties of tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine?
tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine has a molecular weight of 2327.00 g/mol, XLogP of 25.83, 37 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[5-[6-[5-[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-2-pyridinyl]-3-pyridinyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]ethyl]carbamate;methane;methyl N-[(1R)-2-[methyl-[(1S)-1-[5-[4-[5-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]pyrimidin-2-yl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-2-oxo-1-phenylethyl]carbamate;(1S)-N-methyl-1-[5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-5-(trifluoromethyl)-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethanamine;(1S)-1-[5-[6-[5-(2-propan-2-yl-1H-imidazol-5-yl)-2-pyridinyl]-3-pyridinyl]-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 158312605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).