benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride

C203H244BrCl4FN33O21P3 — CID 157343158

About benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride

benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (PubChem CID 157343158) has the molecular formula C203H244BrCl4FN33O21P3 and a molecular weight of 3816.03 g/mol. Its IUPAC name is benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.

Molecular Properties

• Compound Name: benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
• PubChem CID: 157343158
• Molecular Formula: C203H244BrCl4FN33O21P3
• Molecular Weight: 3816.03 g/mol
• Exact Mass: 3810.62
• IUPAC Name: benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
• SMILES: C=C(F)C(=O)O.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.Cc1cccc2cccc(Br)c12.Cl.OC[C@@H]1CCCN1Cc1ccccc1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3Cc3ccccc3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCNC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3Cc3ccccc3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1
• InChI: InChI=1S/C44H47N7O3.C37H42N6O.C32H31ClN6O2.C26H31ClN6O4.C21H23ClN6O2.C12H17NO.C11H9Br.C9H21O6P3.C8H19N.C3H3FO2.ClH/c1-32-12-9-17-35-18-10-20-40(41(32)35)49-23-21-38-39(29-49)46-43(53-31-36-19-11-22-48(36)27-33-13-5-3-6-14-33)47-42(38)50-24-25-51(37(28-50)26-45-2)44(52)54-30-34-15-7-4-8-16-34;1-27-10-6-14-30-15-7-17-34(35(27)30)42-21-18-32-33(25-42)39-37(40-36(32)43-20-8-13-29(24-43)22-38-2)44-26-31-16-9-19-41(31)23-28-11-4-3-5-12-28;1-22-8-6-11-24-12-7-13-28(29(22)24)37-15-14-26-27(20-37)35-31(33)36-30(26)38-16-17-39(25(19-38)18-34-2)32(40)41-21-23-9-4-3-5-10-23;1-26(2,3)37-24(34)32-11-10-20-21(16-32)29-23(27)30-22(20)31-12-13-33(19(15-31)14-28-4)25(35)36-17-18-8-6-5-7-9-18;1-23-11-16-13-27(19-17-7-8-24-12-18(17)25-20(22)26-19)9-10-28(16)21(29)30-14-15-5-3-2-4-6-15;14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5;1-2(4)3(5)6;/h3-10,12-18,20,36-37H,11,19,21-31H2,1H3;3-7,10-12,14-15,17,29,31H,8-9,13,16,18-26H2,1H3;3-13,25H,14-21H2,1H3;5-9,19H,10-17H2,1-3H3;2-6,16,24H,7-14H2;1-3,5-6,12,14H,4,7-10H2;2-7H,1H3;4-9H2,1-3H3;7-8H,6H2,1-5H3;1H2,(H,5,6);1H/t36-,37-;29-,31-;25-;19-;16-;12-;;;;;/m000000...../s1
• InChIKey: ZSBRXGMMXDFPLQ-OYZATQNPSA-N
• XLogP: 40.08
• TPSA: 504.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 44
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3816.03
LogP ≤ 5	40.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The IUPAC name of benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride (CID 157343158) is benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride.

What is the SMILES notation for benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The canonical SMILES for benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is C=C(F)C(=O)O.CCCP1(=O)OP(=O)(CCC)OP(=O)(CCC)O1.CCN(C(C)C)C(C)C.Cc1cccc2cccc(Br)c12.Cl.OC[C@@H]1CCCN1Cc1ccccc1.[C-]#[N+]C[C@@H]1CCCN(c2nc(OC[C@@H]3CCCN3Cc3ccccc3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCN(C(=O)OC(C)(C)C)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(Cl)nc3c2CCNC3)CCN1C(=O)OCc1ccccc1.[C-]#[N+]C[C@H]1CN(c2nc(OC[C@@H]3CCCN3Cc3ccccc3)nc3c2CCN(c2cccc4cccc(C)c24)C3)CCN1C(=O)OCc1ccccc1.

What is the InChIKey of benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

The InChIKey is ZSBRXGMMXDFPLQ-OYZATQNPSA-N. The full InChI is InChI=1S/C44H47N7O3.C37H42N6O.C32H31ClN6O2.C26H31ClN6O4.C21H23ClN6O2.C12H17NO.C11H9Br.C9H21O6P3.C8H19N.C3H3FO2.ClH/c1-32-12-9-17-35-18-10-20-40(41(32)35)49-23-21-38-39(29-49)46-43(53-31-36-19-11-22-48(36)27-33-13-5-3-6-14-33)47-42(38)50-24-25-51(37(28-50)26-45-2)44(52)54-30-34-15-7-4-8-16-34;1-27-10-6-14-30-15-7-17-34(35(27)30)42-21-18-32-33(25-42)39-37(40-36(32)43-20-8-13-29(24-43)22-38-2)44-26-31-16-9-19-41(31)23-28-11-4-3-5-12-28;1-22-8-6-11-24-12-7-13-28(29(22)24)37-15-14-26-27(20-37)35-31(33)36-30(26)38-16-17-39(25(19-38)18-34-2)32(40)41-21-23-9-4-3-5-10-23;1-26(2,3)37-24(34)32-11-10-20-21(16-32)29-23(27)30-22(20)31-12-13-33(19(15-31)14-28-4)25(35)36-17-18-8-6-5-7-9-18;1-23-11-16-13-27(19-17-7-8-24-12-18(17)25-20(22)26-19)9-10-28(16)21(29)30-14-15-5-3-2-4-6-15;14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-4-7-16(10)13-17(11,8-5-2)15-18(12,14-16)9-6-3;1-6-9(7(2)3)8(4)5;1-2(4)3(5)6;/h3-10,12-18,20,36-37H,11,19,21-31H2,1H3;3-7,10-12,14-15,17,29,31H,8-9,13,16,18-26H2,1H3;3-13,25H,14-21H2,1H3;5-9,19H,10-17H2,1-3H3;2-6,16,24H,7-14H2;1-3,5-6,12,14H,4,7-10H2;2-7H,1H3;4-9H2,1-3H3;7-8H,6H2,1-5H3;1H2,(H,5,6);1H/t36-,37-;29-,31-;25-;19-;16-;12-;;;;;/m000000...../s1.

What are the key properties of benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride?

benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride has a molecular weight of 3816.03 g/mol, XLogP of 40.08, 44 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl (2R)-4-[2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-[2-chloro-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazine-1-carboxylate;benzyl (2R)-4-(2-chloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-2-(isocyanomethyl)piperazine-1-carboxylate;[(2S)-1-benzylpyrrolidin-2-yl]methanol;2-[[(2S)-1-benzylpyrrolidin-2-yl]methoxy]-4-[(3R)-3-(isocyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine;1-bromo-8-methylnaphthalene;tert-butyl 2-chloro-4-[(3R)-3-(isocyanomethyl)-4-phenylmethoxycarbonylpiperazin-1-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;N-ethyl-N-propan-2-ylpropan-2-amine;2-fluoroprop-2-enoic acid;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride is sourced from PubChem (CID 157343158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).