lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide

C196H225BrLiN29O17 — CID 167662144

About lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide

lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide (PubChem CID 167662144) has the molecular formula C196H225BrLiN29O17 and a molecular weight of 3345.99 g/mol. Its IUPAC name is lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide.

Molecular Properties

• Compound Name: lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide
• PubChem CID: 167662144
• Molecular Formula: C196H225BrLiN29O17
• Molecular Weight: 3345.99 g/mol
• Exact Mass: 3342.70
• IUPAC Name: lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide
• SMILES: C.C1CCC(CN2CCCC2)C1.C=CC(=O)N1CCN(c2cc(C(=O)N3CCC[C@@H]3CN3CCCC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CN(c1cccc3cccc(C)c13)CC2.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CNCC2.Cc1cccc2cccc(Br)c12.Cc1cccc2cccc(N3CCc4c(N5CCC[C@@H](CC#N)C5)cc(C(=O)O)nc4C3)c12.Cc1cccc2cccc(N3CCc4c(N5CCC[C@@H](CC#N)C5)cc(C(=O)O)nc4C3)c12.[Li+].[OH-]
• InChI: InChI=1S/C38H45N7O2.C29H29N5O3.C29H32N4O2.2C27H28N4O2.C18H24N4O2.C11H9Br.C10H19N.C6H6O3.CH4.Li.H2O/c1-3-36(46)44-22-21-43(25-30(44)14-16-39)35-23-32(38(47)45-19-8-12-29(45)24-41-17-4-5-18-41)40-33-26-42(20-15-31(33)35)34-13-7-11-28-10-6-9-27(2)37(28)34;1-3-27(35)34-15-14-33(17-21(34)10-12-30)26-16-23(29(36)37)31-24-18-32(13-11-22(24)26)25-9-5-8-20-7-4-6-19(2)28(20)25;1-3-35-29(34)24-17-27(32-15-6-8-21(18-32)12-14-30)23-13-16-33(19-25(23)31-24)26-11-5-10-22-9-4-7-20(2)28(22)26;2*1-18-5-2-7-20-8-3-9-24(26(18)20)31-14-11-21-23(17-31)29-22(27(32)33)15-25(21)30-13-4-6-19(16-30)10-12-28;1-2-24-18(23)15-10-17(14-6-8-20-11-16(14)21-15)22-9-3-4-13(12-22)5-7-19;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-2-6-10(5-1)9-11-7-3-4-8-11;1-3-5(7)9-6(8)4-2;;;/h3,6-7,9-11,13,23,29-30H,1,4-5,8,12,14-15,17-22,24-26H2,2H3;3-9,16,21H,1,10-11,13-15,17-18H2,2H3,(H,36,37);4-5,7,9-11,17,21H,3,6,8,12-13,15-16,18-19H2,1-2H3;2*2-3,5,7-9,15,19H,4,6,10-11,13-14,16-17H2,1H3,(H,32,33);10,13,20H,2-6,8-9,11-12H2,1H3;2-7H,1H3;10H,1-9H2;3-4H,1-2H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t29-,30+;2*21-;2*19-;13-;;;;;;/m100000....../s1
• InChIKey: SCHFQPAHOMADGH-ZKVNKVMCSA-M
• XLogP: 30.23
• TPSA: 573.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3345.99
LogP ≤ 5	30.23
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide?

The IUPAC name of lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide (CID 167662144) is lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide.

What is the SMILES notation for lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide?

The canonical SMILES for lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide is C.C1CCC(CN2CCCC2)C1.C=CC(=O)N1CCN(c2cc(C(=O)N3CCC[C@@H]3CN3CCCC3)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CN(c1cccc3cccc(C)c13)CC2.CCOC(=O)c1cc(N2CCC[C@@H](CC#N)C2)c2c(n1)CNCC2.Cc1cccc2cccc(Br)c12.Cc1cccc2cccc(N3CCc4c(N5CCC[C@@H](CC#N)C5)cc(C(=O)O)nc4C3)c12.Cc1cccc2cccc(N3CCc4c(N5CCC[C@@H](CC#N)C5)cc(C(=O)O)nc4C3)c12.[Li+].[OH-].

What is the InChIKey of lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide?

The InChIKey is SCHFQPAHOMADGH-ZKVNKVMCSA-M. The full InChI is InChI=1S/C38H45N7O2.C29H29N5O3.C29H32N4O2.2C27H28N4O2.C18H24N4O2.C11H9Br.C10H19N.C6H6O3.CH4.Li.H2O/c1-3-36(46)44-22-21-43(25-30(44)14-16-39)35-23-32(38(47)45-19-8-12-29(45)24-41-17-4-5-18-41)40-33-26-42(20-15-31(33)35)34-13-7-11-28-10-6-9-27(2)37(28)34;1-3-27(35)34-15-14-33(17-21(34)10-12-30)26-16-23(29(36)37)31-24-18-32(13-11-22(24)26)25-9-5-8-20-7-4-6-19(2)28(20)25;1-3-35-29(34)24-17-27(32-15-6-8-21(18-32)12-14-30)23-13-16-33(19-25(23)31-24)26-11-5-10-22-9-4-7-20(2)28(22)26;2*1-18-5-2-7-20-8-3-9-24(26(18)20)31-14-11-21-23(17-31)29-22(27(32)33)15-25(21)30-13-4-6-19(16-30)10-12-28;1-2-24-18(23)15-10-17(14-6-8-20-11-16(14)21-15)22-9-3-4-13(12-22)5-7-19;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-2-6-10(5-1)9-11-7-3-4-8-11;1-3-5(7)9-6(8)4-2;;;/h3,6-7,9-11,13,23,29-30H,1,4-5,8,12,14-15,17-22,24-26H2,2H3;3-9,16,21H,1,10-11,13-15,17-18H2,2H3,(H,36,37);4-5,7,9-11,17,21H,3,6,8,12-13,15-16,18-19H2,1-2H3;2*2-3,5,7-9,15,19H,4,6,10-11,13-14,16-17H2,1H3,(H,32,33);10,13,20H,2-6,8-9,11-12H2,1H3;2-7H,1H3;10H,1-9H2;3-4H,1-2H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t29-,30+;2*21-;2*19-;13-;;;;;;/m100000....../s1.

What are the key properties of lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide?

lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide has a molecular weight of 3345.99 g/mol, XLogP of 30.23, 33 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-bromo-8-methylnaphthalene;bis(4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;1-(cyclopentylmethyl)pyrrolidine;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-[(3S)-3-(cyanomethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;2-[(2S)-4-[7-(8-methylnaphthalen-1-yl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile;prop-2-enoyl prop-2-enoate;hydroxide is sourced from PubChem (CID 167662144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).