dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide

C106H115Cs2LiN22O14 — CID 159854109

About dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide

dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide (PubChem CID 159854109) has the molecular formula C106H115Cs2LiN22O14 and a molecular weight of 2193.98 g/mol. Its IUPAC name is dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide.

Molecular Properties

• Compound Name: dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide
• PubChem CID: 159854109
• Molecular Formula: C106H115Cs2LiN22O14
• Molecular Weight: 2193.98 g/mol
• Exact Mass: 2192.72
• IUPAC Name: dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide
• SMILES: CCOC(=O)CC(c1cnc2c(c1)CCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.CCOC(=O)CC(c1cnc2ncccc2c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=C(O)CC(c1cnc2c(c1)CCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C30H34N6O3.C30H30N6O3.C28H30N6O3.C17H18N4O.CH2O3.2Cs.Li.H2O.H/c2*1-2-38-28(37)17-27(22-15-21-6-4-12-31-29(21)33-18-22)36-26-10-9-25(16-23(26)19-34-36)39-14-11-24-8-7-20-5-3-13-32-30(20)35-24;35-26(36)15-25(20-13-19-4-2-10-29-27(19)31-16-20)34-24-8-7-23(14-21(24)17-32-34)37-12-9-22-6-5-18-3-1-11-30-28(18)33-22;1-2-12-3-4-14(20-17(12)18-8-1)7-9-22-15-5-6-16-13(10-15)11-19-21-16;2-1-4-3;;;;;/h7-10,15-16,18-19,27H,2-6,11-14,17H2,1H3,(H,31,33)(H,32,35);4,6-10,12,15-16,18-19,27H,2-3,5,11,13-14,17H2,1H3,(H,32,35);5-8,13-14,16-17,25H,1-4,9-12,15H2,(H,29,31)(H,30,33)(H,35,36);3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21);1,3H;;;;1H2;/q;;;;;3*+1;;-1/p-2
• InChIKey: UXRWAOLZGLLEBD-UHFFFAOYSA-L
• XLogP: 6.15
• TPSA: 463.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 34
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2193.98
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide?

The IUPAC name of dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide (CID 159854109) is dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide.

What is the SMILES notation for dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide?

The canonical SMILES for dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide is CCOC(=O)CC(c1cnc2c(c1)CCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.CCOC(=O)CC(c1cnc2ncccc2c1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=C(O)CC(c1cnc2c(c1)CCCN2)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2.

What is the InChIKey of dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide?

The InChIKey is UXRWAOLZGLLEBD-UHFFFAOYSA-L. The full InChI is InChI=1S/C30H34N6O3.C30H30N6O3.C28H30N6O3.C17H18N4O.CH2O3.2Cs.Li.H2O.H/c2*1-2-38-28(37)17-27(22-15-21-6-4-12-31-29(21)33-18-22)36-26-10-9-25(16-23(26)19-34-36)39-14-11-24-8-7-20-5-3-13-32-30(20)35-24;35-26(36)15-25(20-13-19-4-2-10-29-27(19)31-16-20)34-24-8-7-23(14-21(24)17-32-34)37-12-9-22-6-5-18-3-1-11-30-28(18)33-22;1-2-12-3-4-14(20-17(12)18-8-1)7-9-22-15-5-6-16-13(10-15)11-19-21-16;2-1-4-3;;;;;/h7-10,15-16,18-19,27H,2-6,11-14,17H2,1H3,(H,31,33)(H,32,35);4,6-10,12,15-16,18-19,27H,2-3,5,11,13-14,17H2,1H3,(H,32,35);5-8,13-14,16-17,25H,1-4,9-12,15H2,(H,29,31)(H,30,33)(H,35,36);3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21);1,3H;;;;1H2;/q;;;;;3*+1;;-1/p-2.

What are the key properties of dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide?

dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide has a molecular weight of 2193.98 g/mol, XLogP of 6.15, 31 rotatable bonds, 8 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;ethyl 3-(1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;ethyl 3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;7-[2-(1H-indazol-5-yloxy)ethyl]-1,2,3,4-tetrahydro-1,8-naphthyridine;oxido formate;3-(5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;hydroxide is sourced from PubChem (CID 159854109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).