tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate

C129H161Cl4F12N27O17S — CID 158797115

About tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate

tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate (PubChem CID 158797115) has the molecular formula C129H161Cl4F12N27O17S and a molecular weight of 2763.73 g/mol. Its IUPAC name is tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate.

Molecular Properties

• Compound Name: tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate
• PubChem CID: 158797115
• Molecular Formula: C129H161Cl4F12N27O17S
• Molecular Weight: 2763.73 g/mol
• Exact Mass: 2760.08
• IUPAC Name: tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate
• SMILES: C=CC(=O)OC(=O)C=C.CO[C@@H]1C[C@@H](CO)N(C)C1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)OC(C)(C)C
• InChI: InChI=1S/C32H41ClF3N7O4.C30H35ClF3N7O3.C28H34ClF3N6O2.C26H30ClF3N6O3S.C7H15NO2.C6H6O3/c1-31(2,3)47-30(44)43-13-12-42(16-21(43)15-37-4)28-23-10-11-41(26-9-7-8-24(33)27(26)32(34,35)36)18-25(23)38-29(39-28)46-19-20-14-22(45-6)17-40(20)5;1-5-26(42)41-12-11-40(15-20(41)14-35-2)28-22-9-10-39(25-8-6-7-23(31)27(25)30(32,33)34)17-24(22)36-29(37-28)44-18-19-13-21(43-4)16-38(19)3;1-33-13-18-6-5-10-38(14-18)26-21-9-11-37(24-8-4-7-22(29)25(24)28(30,31)32)16-23(21)34-27(35-26)40-17-19-12-20(39-3)15-36(19)2;1-25(2,3)39-24(37)36-12-11-35(14-16(36)13-31-4)22-17-9-10-34(15-19(17)32-23(33-22)40(5)38)20-8-6-7-18(27)21(20)26(28,29)30;1-8-4-7(10-2)3-6(8)5-9;1-3-5(7)9-6(8)4-2/h7-9,20-22H,10-19H2,1-3,5-6H3;5-8,19-21H,1,9-18H2,3-4H3;4,7-8,18-20H,5-6,9-17H2,2-3H3;6-8,16H,9-15H2,1-3,5H3;6-7,9H,3-5H2,1-2H3;3-4H,1-2H2/t20-,21-,22+;19-,20-,21+;18-,19-,20+;16-,40?;6-,7+;/m00000./s1
• InChIKey: ISZOOCVSZMWSBR-CIHVPRJASA-N
• XLogP: 18.95
• TPSA: 384.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2763.73
LogP ≤ 5	18.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?

The IUPAC name of tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate (CID 158797115) is tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate.

What is the SMILES notation for tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?

The canonical SMILES for tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate is C=CC(=O)OC(=O)C=C.CO[C@@H]1C[C@@H](CO)N(C)C1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)C=C.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3C[C@@H](OC)CN3C)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)OC(C)(C)C.[C-]#[N+]C[C@H]1CN(c2nc(S(C)=O)nc3c2CCN(c2cccc(Cl)c2C(F)(F)F)C3)CCN1C(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?

The InChIKey is ISZOOCVSZMWSBR-CIHVPRJASA-N. The full InChI is InChI=1S/C32H41ClF3N7O4.C30H35ClF3N7O3.C28H34ClF3N6O2.C26H30ClF3N6O3S.C7H15NO2.C6H6O3/c1-31(2,3)47-30(44)43-13-12-42(16-21(43)15-37-4)28-23-10-11-41(26-9-7-8-24(33)27(26)32(34,35)36)18-25(23)38-29(39-28)46-19-20-14-22(45-6)17-40(20)5;1-5-26(42)41-12-11-40(15-20(41)14-35-2)28-22-9-10-39(25-8-6-7-23(31)27(25)30(32,33)34)17-24(22)36-29(37-28)44-18-19-13-21(43-4)16-38(19)3;1-33-13-18-6-5-10-38(14-18)26-21-9-11-37(24-8-4-7-22(29)25(24)28(30,31)32)16-23(21)34-27(35-26)40-17-19-12-20(39-3)15-36(19)2;1-25(2,3)39-24(37)36-12-11-35(14-16(36)13-31-4)22-17-9-10-34(15-19(17)32-23(33-22)40(5)38)20-8-6-7-18(27)21(20)26(28,29)30;1-8-4-7(10-2)3-6(8)5-9;1-3-5(7)9-6(8)4-2/h7-9,20-22H,10-19H2,1-3,5-6H3;5-8,19-21H,1,9-18H2,3-4H3;4,7-8,18-20H,5-6,9-17H2,2-3H3;6-8,16H,9-15H2,1-3,5H3;6-7,9H,3-5H2,1-2H3;3-4H,1-2H2/t20-,21-,22+;19-,20-,21+;18-,19-,20+;16-,40?;6-,7+;/m00000./s1.

What are the key properties of tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate?

tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate has a molecular weight of 2763.73 g/mol, XLogP of 18.95, 30 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;tert-butyl (2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-methylsulfinyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;7-[3-chloro-2-(trifluoromethyl)phenyl]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-[(2R)-4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methanol;prop-2-enoyl prop-2-enoate is sourced from PubChem (CID 158797115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).