tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol

C130H145Cl4F18N27O12S — CID 160692235

About tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol

tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 160692235) has the molecular formula C130H145Cl4F18N27O12S and a molecular weight of 2793.61 g/mol. Its IUPAC name is tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

• Compound Name: tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol
• PubChem CID: 160692235
• Molecular Formula: C130H145Cl4F18N27O12S
• Molecular Weight: 2793.61 g/mol
• Exact Mass: 2789.98
• IUPAC Name: tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol
• SMILES: C=C(F)C(=O)O.CN(CCO)CC(F)(F)F.[C-]#[N+]C[C@@H]1CCCN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C33H38ClF4N7O3.C31H31ClF5N7O2.C29H31ClF4N6O.C29H32ClFN6O3S.C5H10F3NO.C3H3FO2/c1-32(2,3)48-31(46)45-14-13-44(18-22(45)17-39-4)29-23-11-12-43(26-8-6-7-21-9-10-24(35)28(34)27(21)26)19-25(23)40-30(41-29)47-16-15-42(5)20-33(36,37)38;1-19(33)29(45)44-12-11-43(16-21(44)15-38-2)28-22-9-10-42(25-6-4-5-20-7-8-23(34)27(32)26(20)25)17-24(22)39-30(40-28)46-14-13-41(3)18-31(35,36)37;1-35-15-19-5-4-11-40(16-19)27-21-10-12-39(24-7-3-6-20-8-9-22(31)26(30)25(20)24)17-23(21)36-28(37-27)41-14-13-38(2)18-29(32,33)34;1-29(2,3)40-28(38)37-14-13-36(16-19(37)15-32-4)26-20-11-12-35(17-22(20)33-27(34-26)41(5)39)23-8-6-7-18-9-10-21(31)25(30)24(18)23;1-9(2-3-10)4-5(6,7)8;1-2(4)3(5)6/h6-10,22H,11-20H2,1-3,5H3;4-8,21H,1,9-18H2,3H3;3,6-9,19H,4-5,10-18H2,2H3;6-10,19H,11-17H2,1-3,5H3;10H,2-4H2,1H3;1H2,(H,5,6)/t22-;21-;19-;19-,41?;;/m0000../s1
• InChIKey: RPOATBOGRMZYHO-JDNSGQMISA-N
• XLogP: 23.57
• TPSA: 341.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 33
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2793.61
LogP ≤ 5	23.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol?

The IUPAC name of tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol (CID 160692235) is tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol.

What is the SMILES notation for tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol?

The canonical SMILES for tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol is C=C(F)C(=O)O.CN(CCO)CC(F)(F)F.[C-]#[N+]C[C@@H]1CCCN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OCCN(C)CC(F)(F)F)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol?

The InChIKey is RPOATBOGRMZYHO-JDNSGQMISA-N. The full InChI is InChI=1S/C33H38ClF4N7O3.C31H31ClF5N7O2.C29H31ClF4N6O.C29H32ClFN6O3S.C5H10F3NO.C3H3FO2/c1-32(2,3)48-31(46)45-14-13-44(18-22(45)17-39-4)29-23-11-12-43(26-8-6-7-21-9-10-24(35)28(34)27(21)26)19-25(23)40-30(41-29)47-16-15-42(5)20-33(36,37)38;1-19(33)29(45)44-12-11-43(16-21(44)15-38-2)28-22-9-10-42(25-6-4-5-20-7-8-23(34)27(32)26(20)25)17-24(22)39-30(40-28)46-14-13-41(3)18-31(35,36)37;1-35-15-19-5-4-11-40(16-19)27-21-10-12-39(24-7-3-6-20-8-9-22(31)26(30)25(20)24)17-23(21)36-28(37-27)41-14-13-38(2)18-29(32,33)34;1-29(2,3)40-28(38)37-14-13-36(16-19(37)15-32-4)26-20-11-12-35(17-22(20)33-27(34-26)41(5)39)23-8-6-7-18-9-10-21(31)25(30)24(18)23;1-9(2-3-10)4-5(6,7)8;1-2(4)3(5)6/h6-10,22H,11-20H2,1-3,5H3;4-8,21H,1,9-18H2,3H3;3,6-9,19H,4-5,10-18H2,2H3;6-10,19H,11-17H2,1-3,5H3;10H,2-4H2,1H3;1H2,(H,5,6)/t22-;21-;19-;19-,41?;;/m0000../s1.

What are the key properties of tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol?

tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 2793.61 g/mol, XLogP of 23.57, 33 rotatable bonds, 2 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;N-[2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxy]ethyl]-2,2,2-trifluoro-N-methylethanamine;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;2-fluoroprop-2-enoic acid;2-[methyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 160692235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).