tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide

C196H229BCl11F2N21O19Si4 — CID 157431876

IUPACtert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide
SMILESCCc1cc(C)c(N)c(C(C)C)c1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.OB(O)c1ccccc1F
InChIInChI=1S/C50H57ClFN5O4Si.C44H53Cl2N5O4Si.C34H36Cl3N3O3Si.C34H35Cl2N3O3Si.C12H19N.C10H20N2O2.C6H6BFO2.C6H3Cl3N2O/c1-32(2)39-28-35(31-60-62(50(8,9)10,36-19-13-11-14-20-36)37-21-15-12-16-22-37)27-33(3)44(39)57-46-40(29-41(51)43(53-46)38-23-17-18-24-42(38)52)45(54-47(57)58)56-26-25-55(30-34(56)4)48(59)61-49(5,6)7;1-28(2)34-24-31(27-54-56(44(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33)23-29(3)37(34)51-40-35(25-36(45)38(46)47-40)39(48-41(51)52)50-22-21-49(26-30(50)4)42(53)55-43(5,6)7;1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(35)31(37)39-30(27)36)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(35)30(36)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-5-10-6-9(4)12(13)11(7-10)8(2)3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;8-6-4-2-1-3-5(6)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9/h11-24,27-29,32,34H,25-26,30-31H2,1-10H3;11-20,23-25,28,30H,21-22,26-27H2,1-10H3;7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);6-8H,5,13H2,1-4H3;8,11H,5-7H2,1-4H3;1-4,9-10H;1H,(H2,10,12)/t34-;30-;;;;8-;;/m00...0../s1
InChIKeyBQQDAAFGVCSJKO-LTTKZHCSSA-N
MW3734.25 g/mol
LogP40.76
Rot. Bonds36

About tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide

tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide (PubChem CID 157431876) has the molecular formula C196H229BCl11F2N21O19Si4 and a molecular weight of 3734.25 g/mol. Its IUPAC name is tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide.

Molecular Properties

Compound Nametert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide
PubChem CID157431876
Molecular FormulaC196H229BCl11F2N21O19Si4
Molecular Weight3734.25 g/mol
Exact Mass3726.33
IUPAC Nametert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide
SMILESCCc1cc(C)c(N)c(C(C)C)c1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.OB(O)c1ccccc1F
InChIInChI=1S/C50H57ClFN5O4Si.C44H53Cl2N5O4Si.C34H36Cl3N3O3Si.C34H35Cl2N3O3Si.C12H19N.C10H20N2O2.C6H6BFO2.C6H3Cl3N2O/c1-32(2)39-28-35(31-60-62(50(8,9)10,36-19-13-11-14-20-36)37-21-15-12-16-22-37)27-33(3)44(39)57-46-40(29-41(51)43(53-46)38-23-17-18-24-42(38)52)45(54-47(57)58)56-26-25-55(30-34(56)4)48(59)61-49(5,6)7;1-28(2)34-24-31(27-54-56(44(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33)23-29(3)37(34)51-40-35(25-36(45)38(46)47-40)39(48-41(51)52)50-22-21-49(26-30(50)4)42(53)55-43(5,6)7;1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(35)31(37)39-30(27)36)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(35)30(36)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-5-10-6-9(4)12(13)11(7-10)8(2)3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;8-6-4-2-1-3-5(6)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9/h11-24,27-29,32,34H,25-26,30-31H2,1-10H3;11-20,23-25,28,30H,21-22,26-27H2,1-10H3;7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);6-8H,5,13H2,1-4H3;8,11H,5-7H2,1-4H3;1-4,9-10H;1H,(H2,10,12)/t34-;30-;;;;8-;;/m00...0../s1
InChIKeyBQQDAAFGVCSJKO-LTTKZHCSSA-N
XLogP40.76
TPSA500.91 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds36
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003734.25
LogP ≤ 540.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide with MolForge

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Related Compounds

tert-butyl (3S)-4-[6-chloro-1-(2,6-diethylphenyl)-2-oxo-7-piperidin-1-ylpyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2,6-diethylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2,6-diethylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2,6-diethylaniline;oxolane;2,5,6-trichloro-N-[(2,6-diethylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide
CID 157098837
potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride
CID 157106898
CID 157649200
CID 157649200
potassium;tert-butyl (3S)-4-[6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-6-propan-2-ylphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxamide;2,5,6-trichloropyridine-3-carboxylic acid;fluoride
CID 159496538
potassium;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylaniline;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,6-dichloro-5-fluoropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-7-chloro-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione;deuteriomethanethiol;2,6-dichloro-5-fluoropyridine-3-carboxamide;(2S,5S)-2,5-dimethylpiperidine;hydride;methane
CID 159654892
potassium;tert-butyl (3S)-4-[6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;6,7-dichloro-1-(2-methyl-6-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;2-difluoroboranyl-3-fluorophenol;2-methyl-6-propan-2-ylaniline;2,5,6-trichloro-N-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]pyridine-3-carboxamide;bis(2,5,6-trichloropyridine-3-carboxylic acid);fluoride
CID 159903448
dicesium;tert-butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate;6-chloro-1-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]-7-(2-fluorophenyl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one;2-cyclopropyl-4-[(dimethylamino)methyl]aniline;N'-[2-cyclopropyl-4-[(dimethylamino)methyl]phenyl]methanediamine;2,5-dichloro-N-[[2-cyclopropyl-4-[(dimethylamino)methyl]anilino]methyl]-6-(2-fluorophenyl)pyridine-3-carboxamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;hydride;oxido formate;sulfamoyl chloride
CID 159980207
CID 160014321
CID 160014321
CID 160277862
CID 160277862
tert-butyl (3S)-4-[6-chloro-1-(2,6-diethylphenyl)-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;1-O-tert-butyl 3-O-methyl (3R)-piperazine-1,3-dicarboxylate;tris(carbon dioxide);6-chloro-1-(2,6-diethylphenyl)-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(2-fluorophenyl)-4-(4-prop-2-enoylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-2-one;6-chloro-1-(2,6-diethylphenyl)-7-(2-fluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione;6,7-dichloro-1-(2,6-diethylphenyl)pyrido[2,3-d]pyrimidine-2,4-dione;(2-fluorophenyl)boronic acid;oxolane
CID 160329110
CID 160801718
CID 160801718
tert-butyl (3S)-4-[6-chloro-7-(2-fluorophenyl)-1-(4-methoxycarbonyl-2-methyl-6-propan-2-ylphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;4-[6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-3-methyl-5-propan-2-ylbenzoic acid;methyl 4-[6-chloro-7-(2-fluorophenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-oxopyrido[2,3-d]pyrimidin-1-yl]-3-methyl-5-propan-2-ylbenzoate
CID 160871107

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide?
The IUPAC name of tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide (CID 157431876) is tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide.
What is the SMILES notation for tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide?
The canonical SMILES for tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide is CCc1cc(C)c(N)c(C(C)C)c1.C[C@H]1CN(C(=O)OC(C)(C)C)CCN1.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)[nH]c(=O)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1-n1c(=O)nc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)c2cc(Cl)c(Cl)nc21.Cc1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(C(C)C)c1NC(=O)NC(=O)c1cc(Cl)c(Cl)nc1Cl.NC(=O)c1cc(Cl)c(Cl)nc1Cl.OB(O)c1ccccc1F.
What is the InChIKey of tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide?
The InChIKey is BQQDAAFGVCSJKO-LTTKZHCSSA-N. The full InChI is InChI=1S/C50H57ClFN5O4Si.C44H53Cl2N5O4Si.C34H36Cl3N3O3Si.C34H35Cl2N3O3Si.C12H19N.C10H20N2O2.C6H6BFO2.C6H3Cl3N2O/c1-32(2)39-28-35(31-60-62(50(8,9)10,36-19-13-11-14-20-36)37-21-15-12-16-22-37)27-33(3)44(39)57-46-40(29-41(51)43(53-46)38-23-17-18-24-42(38)52)45(54-47(57)58)56-26-25-55(30-34(56)4)48(59)61-49(5,6)7;1-28(2)34-24-31(27-54-56(44(8,9)10,32-17-13-11-14-18-32)33-19-15-12-16-20-33)23-29(3)37(34)51-40-35(25-36(45)38(46)47-40)39(48-41(51)52)50-22-21-49(26-30(50)4)42(53)55-43(5,6)7;1-21(2)26-18-23(17-22(3)29(26)38-33(42)40-32(41)27-19-28(35)31(37)39-30(27)36)20-43-44(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-21(2)26-18-23(17-22(3)29(26)39-31-27(32(40)38-33(39)41)19-28(35)30(36)37-31)20-42-43(34(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25;1-5-10-6-9(4)12(13)11(7-10)8(2)3;1-8-7-12(6-5-11-8)9(13)14-10(2,3)4;8-6-4-2-1-3-5(6)7(9)10;7-3-1-2(6(10)12)4(8)11-5(3)9/h11-24,27-29,32,34H,25-26,30-31H2,1-10H3;11-20,23-25,28,30H,21-22,26-27H2,1-10H3;7-19,21H,20H2,1-6H3,(H2,38,40,41,42);7-19,21H,20H2,1-6H3,(H,38,40,41);6-8H,5,13H2,1-4H3;8,11H,5-7H2,1-4H3;1-4,9-10H;1H,(H2,10,12)/t34-;30-;;;;8-;;/m00...0../s1.
What are the key properties of tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide?
tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide has a molecular weight of 3734.25 g/mol, XLogP of 40.76, 36 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6-chloro-7-(2-fluorophenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;tert-butyl (3S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloro-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylate;N-[[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]carbamoyl]-2,5,6-trichloropyridine-3-carboxamide;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methyl-6-propan-2-ylphenyl]-6,7-dichloropyrido[2,3-d]pyrimidine-2,4-dione;tert-butyl (3S)-3-methylpiperazine-1-carboxylate;4-ethyl-2-methyl-6-propan-2-ylaniline;(2-fluorophenyl)boronic acid;2,5,6-trichloropyridine-3-carboxamide is sourced from PubChem (CID 157431876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).