tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid

C133H139Cl4F15N26O12 — CID 159142167

About tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid

tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid (PubChem CID 159142167) has the molecular formula C133H139Cl4F15N26O12 and a molecular weight of 2720.53 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid
• PubChem CID: 159142167
• Molecular Formula: C133H139Cl4F15N26O12
• Molecular Weight: 2720.53 g/mol
• Exact Mass: 2716.96
• IUPAC Name: tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid
• SMILES: C=C(F)C(=O)O.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F
• InChI: InChI=1S/C36H38ClF4N7O4.C34H38ClF3N6O3.C31H30ClF4N7O2.C29H30ClF3N6O.C3H3FO2/c1-21(38)32(49)47-14-13-46(17-24(47)16-42-5)31-25-11-12-45(28-8-6-7-22-9-10-26(39)30(37)29(22)28)18-27(25)43-33(44-31)51-19-23-15-36(40,41)20-48(23)34(50)52-35(2,3)4;1-33(2,3)47-32(45)44-20-34(37,38)15-23(44)19-46-31-40-26-18-42(27-9-5-8-22-10-11-25(36)29(35)28(22)27)14-12-24(26)30(41-31)43-13-6-7-21(17-43)16-39-4;1-18(33)29(44)43-11-10-42(14-21(43)13-37-2)28-22-8-9-41(25-5-3-4-19-6-7-23(34)27(32)26(19)25)15-24(22)39-30(40-28)45-16-20-12-31(35,36)17-38-20;1-34-13-18-4-3-10-39(14-18)27-21-9-11-38(24-6-2-5-19-7-8-22(31)26(30)25(19)24)15-23(21)36-28(37-27)40-16-20-12-29(32,33)17-35-20;1-2(4)3(5)6/h6-10,23-24H,1,11-20H2,2-4H3;5,8-11,21,23H,6-7,12-20H2,1-3H3;3-7,20-21,38H,1,8-17H2;2,5-8,18,20,35H,3-4,9-17H2;1H2,(H,5,6)/t23-,24-;21-,23-;20-,21-;18-,20-;/m0000./s1
• InChIKey: KIFKXNBLMBUIFD-FMTKKOMISA-N
• XLogP: 24.40
• TPSA: 344.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 29
• Rotatable Bonds: 27
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2720.53
LogP ≤ 5	24.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	29

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 (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid?

The IUPAC name of tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid (CID 159142167) is tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid.

What is the SMILES notation for tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid?

The canonical SMILES for tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid is C=C(F)C(=O)O.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CC(F)(F)CN3C(=O)OC(C)(C)C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)CCN1C(=O)C(=C)F.

What is the InChIKey of tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid?

The InChIKey is KIFKXNBLMBUIFD-FMTKKOMISA-N. The full InChI is InChI=1S/C36H38ClF4N7O4.C34H38ClF3N6O3.C31H30ClF4N7O2.C29H30ClF3N6O.C3H3FO2/c1-21(38)32(49)47-14-13-46(17-24(47)16-42-5)31-25-11-12-45(28-8-6-7-22-9-10-26(39)30(37)29(22)28)18-27(25)43-33(44-31)51-19-23-15-36(40,41)20-48(23)34(50)52-35(2,3)4;1-33(2,3)47-32(45)44-20-34(37,38)15-23(44)19-46-31-40-26-18-42(27-9-5-8-22-10-11-25(36)29(35)28(22)27)14-12-24(26)30(41-31)43-13-6-7-21(17-43)16-39-4;1-18(33)29(44)43-11-10-42(14-21(43)13-37-2)28-22-8-9-41(25-5-3-4-19-6-7-23(34)27(32)26(19)25)15-24(22)39-30(40-28)45-16-20-12-31(35,36)17-38-20;1-34-13-18-4-3-10-39(14-18)27-21-9-11-38(24-6-2-5-19-7-8-22(31)26(30)25(19)24)15-23(21)36-28(37-27)40-16-20-12-29(32,33)17-35-20;1-2(4)3(5)6/h6-10,23-24H,1,11-20H2,2-4H3;5,8-11,21,23H,6-7,12-20H2,1-3H3;3-7,20-21,38H,1,8-17H2;2,5-8,18,20,35H,3-4,9-17H2;1H2,(H,5,6)/t23-,24-;21-,23-;20-,21-;18-,20-;/m0000./s1.

What are the key properties of tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid?

tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid has a molecular weight of 2720.53 g/mol, XLogP of 24.40, 27 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-[[7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-(isocyanomethyl)piperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;tert-butyl (2S)-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]oxymethyl]-4,4-difluoropyrrolidine-1-carboxylate;1-[(2R)-4-[7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]-2-fluoroprop-2-en-1-one;7-(8-chloro-7-fluoronaphthalen-1-yl)-2-[[(2S)-4,4-difluoropyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;2-fluoroprop-2-enoic acid is sourced from PubChem (CID 159142167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).