tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine

C200H255BrF10N18O28Si4 — CID 159054928

IUPACtert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine
SMILESCC(C)(C)OC(=O)CBr.CCCCCC(=O)OC(C)(C)C.CCCN.COc1ccc(C2(C(=O)N(CCO)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)O)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)OC(C)(C)C)CCC(F)(F)CC2)cc1
InChIInChI=1S/C45H53F2N5O6Si.C40H45F2N5O4Si.C38H49F2NO5Si.C34H41F2NO5Si.C24H27F2N5O4.C10H20O2.C6H11BrO2.C3H9N/c1-42(2,3)58-41(55)52-37-22-23-38(49-36(37)30-48-52)50-39(53)31-51(40(54)44(24-26-45(46,47)27-25-44)32-18-20-33(56-7)21-19-32)28-29-57-59(43(4,5)6,34-14-10-8-11-15-34)35-16-12-9-13-17-35;1-38(2,3)52(31-11-7-5-8-12-31,32-13-9-6-10-14-32)51-26-25-47(28-36(48)45-35-20-19-33-34(44-35)27-43-46-33)37(49)39(21-23-40(41,42)24-22-39)29-15-17-30(50-4)18-16-29;1-35(2,3)46-33(42)28-41(34(43)37(22-24-38(39,40)25-23-37)29-18-20-30(44-7)21-19-29)26-27-45-47(36(4,5)6,31-14-10-8-11-15-31)32-16-12-9-13-17-32;1-32(2,3)43(28-11-7-5-8-12-28,29-13-9-6-10-14-29)42-24-23-37(25-30(38)39)31(40)33(19-21-34(35,36)22-20-33)26-15-17-27(41-4)18-16-26;1-35-17-4-2-16(3-5-17)23(8-10-24(25,26)11-9-23)22(34)31(12-13-32)15-21(33)29-20-7-6-18-19(28-20)14-27-30-18;1-5-6-7-8-9(11)12-10(2,3)4;1-6(2,3)9-5(8)4-7;1-2-3-4/h8-23,30H,24-29,31H2,1-7H3,(H,49,50,53);5-20,27H,21-26,28H2,1-4H3,(H,43,46)(H,44,45,48);8-21H,22-28H2,1-7H3;5-18H,19-25H2,1-4H3,(H,38,39);2-7,14,32H,8-13,15H2,1H3,(H,27,30)(H,28,29,33);5-8H2,1-4H3;4H2,1-3H3;2-4H2,1H3
InChIKeyJXSVFTNZQLWFTR-UHFFFAOYSA-N
MW3741.57 g/mol
LogP34.55
Rot. Bonds60

About tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine

tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine (PubChem CID 159054928) has the molecular formula C200H255BrF10N18O28Si4 and a molecular weight of 3741.57 g/mol. Its IUPAC name is tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine.

Molecular Properties

Compound Nametert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine
PubChem CID159054928
Molecular FormulaC200H255BrF10N18O28Si4
Molecular Weight3741.57 g/mol
Exact Mass3737.72
IUPAC Nametert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine
SMILESCC(C)(C)OC(=O)CBr.CCCCCC(=O)OC(C)(C)C.CCCN.COc1ccc(C2(C(=O)N(CCO)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)O)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)OC(C)(C)C)CCC(F)(F)CC2)cc1
InChIInChI=1S/C45H53F2N5O6Si.C40H45F2N5O4Si.C38H49F2NO5Si.C34H41F2NO5Si.C24H27F2N5O4.C10H20O2.C6H11BrO2.C3H9N/c1-42(2,3)58-41(55)52-37-22-23-38(49-36(37)30-48-52)50-39(53)31-51(40(54)44(24-26-45(46,47)27-25-44)32-18-20-33(56-7)21-19-32)28-29-57-59(43(4,5)6,34-14-10-8-11-15-34)35-16-12-9-13-17-35;1-38(2,3)52(31-11-7-5-8-12-31,32-13-9-6-10-14-32)51-26-25-47(28-36(48)45-35-20-19-33-34(44-35)27-43-46-33)37(49)39(21-23-40(41,42)24-22-39)29-15-17-30(50-4)18-16-29;1-35(2,3)46-33(42)28-41(34(43)37(22-24-38(39,40)25-23-37)29-18-20-30(44-7)21-19-29)26-27-45-47(36(4,5)6,31-14-10-8-11-15-31)32-16-12-9-13-17-32;1-32(2,3)43(28-11-7-5-8-12-28,29-13-9-6-10-14-29)42-24-23-37(25-30(38)39)31(40)33(19-21-34(35,36)22-20-33)26-15-17-27(41-4)18-16-26;1-35-17-4-2-16(3-5-17)23(8-10-24(25,26)11-9-23)22(34)31(12-13-32)15-21(33)29-20-7-6-18-19(28-20)14-27-30-18;1-5-6-7-8-9(11)12-10(2,3)4;1-6(2,3)9-5(8)4-7;1-2-3-4/h8-23,30H,24-29,31H2,1-7H3,(H,49,50,53);5-20,27H,21-26,28H2,1-4H3,(H,43,46)(H,44,45,48);8-21H,22-28H2,1-7H3;5-18H,19-25H2,1-4H3,(H,38,39);2-7,14,32H,8-13,15H2,1H3,(H,27,30)(H,28,29,33);5-8H2,1-4H3;4H2,1-3H3;2-4H2,1H3
InChIKeyJXSVFTNZQLWFTR-UHFFFAOYSA-N
XLogP34.55
TPSA574.52 Ų
H-Bond Donors8
H-Bond Acceptors35
Rotatable Bonds60
Heavy Atoms261
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003741.57
LogP ≤ 534.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

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

Analyze tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine?
The IUPAC name of tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine (CID 159054928) is tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine.
What is the SMILES notation for tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine?
The canonical SMILES for tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine is CC(C)(C)OC(=O)CBr.CCCCCC(=O)OC(C)(C)C.CCCN.COc1ccc(C2(C(=O)N(CCO)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4[nH]ncc4n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)O)CCC(F)(F)CC2)cc1.COc1ccc(C2(C(=O)N(CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC(=O)OC(C)(C)C)CCC(F)(F)CC2)cc1.
What is the InChIKey of tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine?
The InChIKey is JXSVFTNZQLWFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53F2N5O6Si.C40H45F2N5O4Si.C38H49F2NO5Si.C34H41F2NO5Si.C24H27F2N5O4.C10H20O2.C6H11BrO2.C3H9N/c1-42(2,3)58-41(55)52-37-22-23-38(49-36(37)30-48-52)50-39(53)31-51(40(54)44(24-26-45(46,47)27-25-44)32-18-20-33(56-7)21-19-32)28-29-57-59(43(4,5)6,34-14-10-8-11-15-34)35-16-12-9-13-17-35;1-38(2,3)52(31-11-7-5-8-12-31,32-13-9-6-10-14-32)51-26-25-47(28-36(48)45-35-20-19-33-34(44-35)27-43-46-33)37(49)39(21-23-40(41,42)24-22-39)29-15-17-30(50-4)18-16-29;1-35(2,3)46-33(42)28-41(34(43)37(22-24-38(39,40)25-23-37)29-18-20-30(44-7)21-19-29)26-27-45-47(36(4,5)6,31-14-10-8-11-15-31)32-16-12-9-13-17-32;1-32(2,3)43(28-11-7-5-8-12-28,29-13-9-6-10-14-29)42-24-23-37(25-30(38)39)31(40)33(19-21-34(35,36)22-20-33)26-15-17-27(41-4)18-16-26;1-35-17-4-2-16(3-5-17)23(8-10-24(25,26)11-9-23)22(34)31(12-13-32)15-21(33)29-20-7-6-18-19(28-20)14-27-30-18;1-5-6-7-8-9(11)12-10(2,3)4;1-6(2,3)9-5(8)4-7;1-2-3-4/h8-23,30H,24-29,31H2,1-7H3,(H,49,50,53);5-20,27H,21-26,28H2,1-4H3,(H,43,46)(H,44,45,48);8-21H,22-28H2,1-7H3;5-18H,19-25H2,1-4H3,(H,38,39);2-7,14,32H,8-13,15H2,1H3,(H,27,30)(H,28,29,33);5-8H2,1-4H3;4H2,1-3H3;2-4H2,1H3.
What are the key properties of tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine?
tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine has a molecular weight of 3741.57 g/mol, XLogP of 34.55, 60 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-bromoacetate;tert-butyl 2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetate;tert-butyl 5-[[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]acetic acid;N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4,4-difluoro-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;tert-butyl hexanoate;4,4-difluoro-N-(2-hydroxyethyl)-1-(4-methoxyphenyl)-N-[2-oxo-2-(1H-pyrazolo[4,5-b]pyridin-5-ylamino)ethyl]cyclohexane-1-carboxamide;propan-1-amine is sourced from PubChem (CID 159054928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).