lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide

C171H198BrLiN24O17 — CID 167680266

About lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide

lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide (PubChem CID 167680266) has the molecular formula C171H198BrLiN24O17 and a molecular weight of 2948.46 g/mol. Its IUPAC name is lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide.

Molecular Properties

• Compound Name: lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide
• PubChem CID: 167680266
• Molecular Formula: C171H198BrLiN24O17
• Molecular Weight: 2948.46 g/mol
• Exact Mass: 2945.47
• IUPAC Name: lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide
• SMILES: Brc1cccc2ccccc12.C.C=CC(=O)N1CCN(c2cc(C(=O)NCCN3CCCC3)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CNCC2.NCCN1CCCC1.O=C(O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.O=C(O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.[Li+].[OH-]
• InChI: InChI=1S/C32H38N6O2.C26H26N4O3.C26H29N3O2.2C24H25N3O2.C16H23N3O2.C10H7Br.C6H14N2.C6H6O3.CH4.Li.H2O/c1-2-31(39)37-20-18-36(19-21-37)30-22-27(32(40)33-13-17-35-14-5-6-15-35)34-28-23-38(16-12-26(28)30)29-11-7-9-24-8-3-4-10-25(24)29;1-2-25(31)29-14-12-28(13-15-29)24-16-21(26(32)33)27-22-17-30(11-10-20(22)24)23-9-5-7-18-6-3-4-8-19(18)23;1-2-31-26(30)22-17-25(28-14-6-3-7-15-28)21-13-16-29(18-23(21)27-22)24-12-8-10-19-9-4-5-11-20(19)24;2*28-24(29)20-15-23(26-12-4-1-5-13-26)19-11-14-27(16-21(19)25-20)22-10-6-8-17-7-2-3-9-18(17)22;1-2-21-16(20)13-10-15(19-8-4-3-5-9-19)12-6-7-17-11-14(12)18-13;11-10-7-3-5-8-4-1-2-6-9(8)10;7-3-6-8-4-1-2-5-8;1-3-5(7)9-6(8)4-2;;;/h2-4,7-11,22H,1,5-6,12-21,23H2,(H,33,40);2-9,16H,1,10-15,17H2,(H,32,33);4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3;2*2-3,6-10,15H,1,4-5,11-14,16H2,(H,28,29);10,17H,2-9,11H2,1H3;1-7H;1-7H2;3-4H,1-2H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: VKYMKSWPVHTIGS-UHFFFAOYSA-M
• XLogP: 24.15
• TPSA: 465.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2948.46
LogP ≤ 5	24.15
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-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide?

The IUPAC name of lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide (CID 167680266) is lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide.

What is the SMILES notation for lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide?

The canonical SMILES for lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide is Brc1cccc2ccccc12.C.C=CC(=O)N1CCN(c2cc(C(=O)NCCN3CCCC3)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4ccccc24)C3)CC1.C=CC(=O)OC(=O)C=C.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.CCOC(=O)c1cc(N2CCCCC2)c2c(n1)CNCC2.NCCN1CCCC1.O=C(O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.O=C(O)c1cc(N2CCCCC2)c2c(n1)CN(c1cccc3ccccc13)CC2.[Li+].[OH-].

What is the InChIKey of lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide?

The InChIKey is VKYMKSWPVHTIGS-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H38N6O2.C26H26N4O3.C26H29N3O2.2C24H25N3O2.C16H23N3O2.C10H7Br.C6H14N2.C6H6O3.CH4.Li.H2O/c1-2-31(39)37-20-18-36(19-21-37)30-22-27(32(40)33-13-17-35-14-5-6-15-35)34-28-23-38(16-12-26(28)30)29-11-7-9-24-8-3-4-10-25(24)29;1-2-25(31)29-14-12-28(13-15-29)24-16-21(26(32)33)27-22-17-30(11-10-20(22)24)23-9-5-7-18-6-3-4-8-19(18)23;1-2-31-26(30)22-17-25(28-14-6-3-7-15-28)21-13-16-29(18-23(21)27-22)24-12-8-10-19-9-4-5-11-20(19)24;2*28-24(29)20-15-23(26-12-4-1-5-13-26)19-11-14-27(16-21(19)25-20)22-10-6-8-17-7-2-3-9-18(17)22;1-2-21-16(20)13-10-15(19-8-4-3-5-9-19)12-6-7-17-11-14(12)18-13;11-10-7-3-5-8-4-1-2-6-9(8)10;7-3-6-8-4-1-2-5-8;1-3-5(7)9-6(8)4-2;;;/h2-4,7-11,22H,1,5-6,12-21,23H2,(H,33,40);2-9,16H,1,10-15,17H2,(H,32,33);4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3;2*2-3,6-10,15H,1,4-5,11-14,16H2,(H,28,29);10,17H,2-9,11H2,1H3;1-7H;1-7H2;3-4H,1-2H2;1H4;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide?

lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide has a molecular weight of 2948.46 g/mol, XLogP of 24.15, 28 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;1-bromonaphthalene;ethyl 7-naphthalen-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-naphthalen-1-yl-4-piperidin-1-yl-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid);7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid;7-naphthalen-1-yl-4-(4-prop-2-enoylpiperazin-1-yl)-N-(2-pyrrolidin-1-ylethyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;prop-2-enoyl prop-2-enoate;2-pyrrolidin-1-ylethanamine;hydroxide is sourced from PubChem (CID 167680266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).