lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide

C175H210BrLiN24O17 — CID 167605435

About lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide

lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide (PubChem CID 167605435) has the molecular formula C175H210BrLiN24O17 and a molecular weight of 3008.60 g/mol. Its IUPAC name is lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide.

Molecular Properties

• Compound Name: lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide
• PubChem CID: 167605435
• Molecular Formula: C175H210BrLiN24O17
• Molecular Weight: 3008.60 g/mol
• Exact Mass: 3005.56
• IUPAC Name: lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide
• SMILES: C.C=CC(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3cccc(C)c13)CC2.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CNCC2.C[C@@H](N)CN(C)C.Cc1cccc2cccc(Br)c12.Cc1cccc2cccc(N3CCc4c(N5CCCCC5)cc(C(=O)O)nc4C3)c12.Cc1cccc2cccc(N3CCc4c(N5CCCCC5)cc(C(=O)O)nc4C3)c12.[Li+].[OH-]
• InChI: InChI=1S/C32H40N6O2.C27H28N4O3.C27H31N3O2.2C25H27N3O2.C16H23N3O2.C11H9Br.C6H6O3.C5H14N2.CH4.Li.H2O/c1-6-30(39)37-17-15-36(16-18-37)29-19-26(32(40)33-23(3)20-35(4)5)34-27-21-38(14-13-25(27)29)28-12-8-11-24-10-7-9-22(2)31(24)28;1-3-25(32)30-14-12-29(13-15-30)24-16-21(27(33)34)28-22-17-31(11-10-20(22)24)23-9-5-8-19-7-4-6-18(2)26(19)23;1-3-32-27(31)22-17-25(29-14-5-4-6-15-29)21-13-16-30(18-23(21)28-22)24-12-8-11-20-10-7-9-19(2)26(20)24;2*1-17-7-5-8-18-9-6-10-22(24(17)18)28-14-11-19-21(16-28)26-20(25(29)30)15-23(19)27-12-3-2-4-13-27;1-2-21-16(20)13-10-15(19-8-4-3-5-9-19)12-6-7-17-11-14(12)18-13;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-3-5(7)9-6(8)4-2;1-5(6)4-7(2)3;;;/h6-12,19,23H,1,13-18,20-21H2,2-5H3,(H,33,40);3-9,16H,1,10-15,17H2,2H3,(H,33,34);7-12,17H,3-6,13-16,18H2,1-2H3;2*5-10,15H,2-4,11-14,16H2,1H3,(H,29,30);10,17H,2-9,11H2,1H3;2-7H,1H3;3-4H,1-2H2;5H,4,6H2,1-3H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t23-;;;;;;;;5-;;;/m1.......1.../s1
• InChIKey: KHWDYGCVSYXPBK-ODNOZLAPSA-M
• XLogP: 25.71
• TPSA: 465.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3008.60
LogP ≤ 5	25.71
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

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;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide?

The IUPAC name of lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide (CID 167605435) is lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide.

What is the SMILES notation for lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide?

The canonical SMILES for lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide is C.C=CC(=O)N1CCN(c2cc(C(=O)N[C@H](C)CN(C)C)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)CC1.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3cccc(C)c13)CC2.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CNCC2.C[C@@H](N)CN(C)C.Cc1cccc2cccc(Br)c12.Cc1cccc2cccc(N3CCc4c(N5CCCCC5)cc(C(=O)O)nc4C3)c12.Cc1cccc2cccc(N3CCc4c(N5CCCCC5)cc(C(=O)O)nc4C3)c12.[Li+].[OH-].

What is the InChIKey of lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide?

The InChIKey is KHWDYGCVSYXPBK-ODNOZLAPSA-M. The full InChI is InChI=1S/C32H40N6O2.C27H28N4O3.C27H31N3O2.2C25H27N3O2.C16H23N3O2.C11H9Br.C6H6O3.C5H14N2.CH4.Li.H2O/c1-6-30(39)37-17-15-36(16-18-37)29-19-26(32(40)33-23(3)20-35(4)5)34-27-21-38(14-13-25(27)29)28-12-8-11-24-10-7-9-22(2)31(24)28;1-3-25(32)30-14-12-29(13-15-30)24-16-21(27(33)34)28-22-17-31(11-10-20(22)24)23-9-5-8-19-7-4-6-18(2)26(19)23;1-3-32-27(31)22-17-25(29-14-5-4-6-15-29)21-13-16-30(18-23(21)28-22)24-12-8-11-20-10-7-9-19(2)26(20)24;2*1-17-7-5-8-18-9-6-10-22(24(17)18)28-14-11-19-21(16-28)26-20(25(29)30)15-23(19)27-12-3-2-4-13-27;1-2-21-16(20)13-10-15(19-8-4-3-5-9-19)12-6-7-17-11-14(12)18-13;1-8-4-2-5-9-6-3-7-10(12)11(8)9;1-3-5(7)9-6(8)4-2;1-5(6)4-7(2)3;;;/h6-12,19,23H,1,13-18,20-21H2,2-5H3,(H,33,40);3-9,16H,1,10-15,17H2,2H3,(H,33,34);7-12,17H,3-6,13-16,18H2,1-2H3;2*5-10,15H,2-4,11-14,16H2,1H3,(H,29,30);10,17H,2-9,11H2,1H3;2-7H,1H3;3-4H,1-2H2;5H,4,6H2,1-3H3;1H4;;1H2/q;;;;;;;;;;+1;/p-1/t23-;;;;;;;;5-;;;/m1.......1.../s1.

What are the key properties of lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide?

lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide has a molecular weight of 3008.60 g/mol, XLogP of 25.71, 28 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-bromo-8-methylnaphthalene;N-[(2R)-1-(dimethylamino)propan-2-yl]-7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;(2R)-1-N,1-N-dimethylpropane-1,2-diamine;ethyl 7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylate;ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate;methane;bis(7-(8-methylnaphthalen-1-yl)-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;prop-2-enoyl prop-2-enoate;hydroxide is sourced from PubChem (CID 167605435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).