tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine

C179H228Cl5N25O15Si2 — CID 158921415

IUPACtert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine
SMILESCC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(C=O)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccnc1C(C)C.CC(C)c1nccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1N.CCNCC.[H]/N=C(/c1cc(Cl)c(-c2ccccc2C(C)C)nc1Cl)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C52H63ClN6O4Si.C36H45ClN6O4.C36H43ClN6O4.C26H34Cl2N4O2.C25H32N2OSi.C4H11N/c1-33(2)40-25-19-20-26-41(40)45-43(53)29-42-47(57-30-36(6)58(31-35(57)5)50(61)63-51(7,8)9)56-49(60)59(48(42)55-45)46-37(27-28-54-44(46)34(3)4)32-62-64(52(10,11)12,38-21-15-13-16-22-38)39-23-17-14-18-24-39;2*1-20(2)25-12-10-11-13-26(25)30-28(37)16-27-32(41-17-23(6)42(18-22(41)5)35(46)47-36(7,8)9)40-34(45)43(33(27)39-30)31-24(19-44)14-15-38-29(31)21(3)4;1-15(2)18-10-8-9-11-19(18)22-21(27)12-20(23(28)30-22)24(29)31-13-17(4)32(14-16(31)3)25(33)34-26(5,6)7;1-19(2)24-23(26)20(16-17-27-24)18-28-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-3-5-4-2/h13-29,33-36H,30-32H2,1-12H3;10-16,20-23,44H,17-19H2,1-9H3;10-16,19-23H,17-18H2,1-9H3;8-12,15-17,29H,13-14H2,1-7H3;6-17,19H,18,26H2,1-5H3;5H,3-4H2,1-2H3/b;;;29-24-;;/t35-,36+;2*22-,23+;16-,17+;;/m0000../s1
InChIKeyJHWPCXMAZDBUKJ-WPSQDYEMSA-N
MW3203.39 g/mol
LogP37.43
Rot. Bonds33

About tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine

tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine (PubChem CID 158921415) has the molecular formula C179H228Cl5N25O15Si2 and a molecular weight of 3203.39 g/mol. Its IUPAC name is tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine.

Molecular Properties

Compound Nametert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine
PubChem CID158921415
Molecular FormulaC179H228Cl5N25O15Si2
Molecular Weight3203.39 g/mol
Exact Mass3198.58
IUPAC Nametert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine
SMILESCC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(C=O)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccnc1C(C)C.CC(C)c1nccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1N.CCNCC.[H]/N=C(/c1cc(Cl)c(-c2ccccc2C(C)C)nc1Cl)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C
InChIInChI=1S/C52H63ClN6O4Si.C36H45ClN6O4.C36H43ClN6O4.C26H34Cl2N4O2.C25H32N2OSi.C4H11N/c1-33(2)40-25-19-20-26-41(40)45-43(53)29-42-47(57-30-36(6)58(31-35(57)5)50(61)63-51(7,8)9)56-49(60)59(48(42)55-45)46-37(27-28-54-44(46)34(3)4)32-62-64(52(10,11)12,38-21-15-13-16-22-38)39-23-17-14-18-24-39;2*1-20(2)25-12-10-11-13-26(25)30-28(37)16-27-32(41-17-23(6)42(18-22(41)5)35(46)47-36(7,8)9)40-34(45)43(33(27)39-30)31-24(19-44)14-15-38-29(31)21(3)4;1-15(2)18-10-8-9-11-19(18)22-21(27)12-20(23(28)30-22)24(29)31-13-17(4)32(14-16(31)3)25(33)34-26(5,6)7;1-19(2)24-23(26)20(16-17-27-24)18-28-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-3-5-4-2/h13-29,33-36H,30-32H2,1-12H3;10-16,20-23,44H,17-19H2,1-9H3;10-16,19-23H,17-18H2,1-9H3;8-12,15-17,29H,13-14H2,1-7H3;6-17,19H,18,26H2,1-5H3;5H,3-4H2,1-2H3/b;;;29-24-;;/t35-,36+;2*22-,23+;16-,17+;;/m0000../s1
InChIKeyJHWPCXMAZDBUKJ-WPSQDYEMSA-N
XLogP37.43
TPSA456.57 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds33
Heavy Atoms226
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003203.39
LogP ≤ 537.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[6-chloro-3-cyano-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;6-chloro-1-[4-[(dimethylamino)methyl]-2-propan-2-yl-3-pyridinyl]-7-(2-fluorophenyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile;6-chloro-7-(2-fluorophenyl)-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carbonitrile;N-methylmethanamine
CID 158191376
tert-butyl N-(3-chlorophenyl)-N-(6-chloropyrazin-2-yl)carbamate;tert-butyl N-(3-chlorophenyl)-N-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]pyrazin-2-yl]carbamate;tert-butyl N-(4-trimethylstannyl-3-pyridinyl)carbamate;3-[[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol;4-trimethylstannylpyridine-3-carboxylic acid
CID 161921408

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine?
The IUPAC name of tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine (CID 158921415) is tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine.
What is the SMILES notation for tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine?
The canonical SMILES for tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine is CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(C=O)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO)ccnc1C(C)C.CC(C)c1ccccc1-c1nc2c(cc1Cl)c(N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C)nc(=O)n2-c1c(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)ccnc1C(C)C.CC(C)c1nccc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1N.CCNCC.[H]/N=C(/c1cc(Cl)c(-c2ccccc2C(C)C)nc1Cl)N1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C.
What is the InChIKey of tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine?
The InChIKey is JHWPCXMAZDBUKJ-WPSQDYEMSA-N. The full InChI is InChI=1S/C52H63ClN6O4Si.C36H45ClN6O4.C36H43ClN6O4.C26H34Cl2N4O2.C25H32N2OSi.C4H11N/c1-33(2)40-25-19-20-26-41(40)45-43(53)29-42-47(57-30-36(6)58(31-35(57)5)50(61)63-51(7,8)9)56-49(60)59(48(42)55-45)46-37(27-28-54-44(46)34(3)4)32-62-64(52(10,11)12,38-21-15-13-16-22-38)39-23-17-14-18-24-39;2*1-20(2)25-12-10-11-13-26(25)30-28(37)16-27-32(41-17-23(6)42(18-22(41)5)35(46)47-36(7,8)9)40-34(45)43(33(27)39-30)31-24(19-44)14-15-38-29(31)21(3)4;1-15(2)18-10-8-9-11-19(18)22-21(27)12-20(23(28)30-22)24(29)31-13-17(4)32(14-16(31)3)25(33)34-26(5,6)7;1-19(2)24-23(26)20(16-17-27-24)18-28-29(25(3,4)5,21-12-8-6-9-13-21)22-14-10-7-11-15-22;1-3-5-4-2/h13-29,33-36H,30-32H2,1-12H3;10-16,20-23,44H,17-19H2,1-9H3;10-16,19-23H,17-18H2,1-9H3;8-12,15-17,29H,13-14H2,1-7H3;6-17,19H,18,26H2,1-5H3;5H,3-4H2,1-2H3/b;;;29-24-;;/t35-,36+;2*22-,23+;16-,17+;;/m0000../s1.
What are the key properties of tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine?
tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine has a molecular weight of 3203.39 g/mol, XLogP of 37.43, 33 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5S)-4-[1-[4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-yl-3-pyridinyl]-6-chloro-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-(4-formyl-2-propan-2-yl-3-pyridinyl)-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[6-chloro-1-[4-(hydroxymethyl)-2-propan-2-yl-3-pyridinyl]-2-oxo-7-(2-propan-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate;tert-butyl (2R,5S)-4-[2,5-dichloro-6-(2-propan-2-ylphenyl)pyridine-3-carboximidoyl]-2,5-dimethylpiperazine-1-carboxylate;4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-propan-2-ylpyridin-3-amine;N-ethylethanamine is sourced from PubChem (CID 158921415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).