dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide

C89H100Cs2LiN21O17 — CID 160560745

About dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide

dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide (PubChem CID 160560745) has the molecular formula C89H100Cs2LiN21O17 and a molecular weight of 2008.66 g/mol. Its IUPAC name is dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide.

Molecular Properties

• Compound Name: dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide
• PubChem CID: 160560745
• Molecular Formula: C89H100Cs2LiN21O17
• Molecular Weight: 2008.66 g/mol
• Exact Mass: 2007.59
• IUPAC Name: dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide
• SMILES: CCOC(=O)/C=C/c1cncc(N2CCCC2=O)n1.CCOC(=O)CC(c1cncc(N2CCCC2=O)n1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=C(O)CCCNc1cncc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)n1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2
• InChI: InChI=1S/C30H33N7O4.C28H31N7O5.C17H18N4O.C13H15N3O3.CH2O3.2Cs.Li.H2O.H/c1-2-40-29(39)16-26(24-18-31-19-27(35-24)36-13-4-6-28(36)38)37-25-10-9-23(15-21(25)17-33-37)41-14-11-22-8-7-20-5-3-12-32-30(20)34-22;36-26(37)4-2-10-30-25-17-29-16-22(34-25)24(14-27(38)39)35-23-8-7-21(13-19(23)15-32-35)40-12-9-20-6-5-18-3-1-11-31-28(18)33-20;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;1-2-19-13(18)6-5-10-8-14-9-11(15-10)16-7-3-4-12(16)17;2-1-4-3;;;;;/h7-10,15,17-19,26H,2-6,11-14,16H2,1H3,(H,32,34);5-8,13,15-17,24H,1-4,9-12,14H2,(H,30,34)(H,31,33)(H,36,37)(H,38,39);3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21);5-6,8-9H,2-4,7H2,1H3;1,3H;;;;1H2;/q;;;;;3*+1;;-1/p-2/b;;;6-5+
• InChIKey: OUEDTYOWZMKAMR-OPRPFPOWSA-L
• XLogP: 0.91
• TPSA: 503.32 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 32
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.66
LogP ≤ 5	0.91
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', '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;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide?

The IUPAC name of dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide (CID 160560745) is dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide.

What is the SMILES notation for dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide?

The canonical SMILES for dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide is CCOC(=O)/C=C/c1cncc(N2CCCC2=O)n1.CCOC(=O)CC(c1cncc(N2CCCC2=O)n1)n1ncc2cc(OCCc3ccc4c(n3)NCCC4)ccc21.O=C(O)CCCNc1cncc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)n1.O=CO[O-].[Cs+].[Cs+].[H-].[Li+].[OH-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)NCCC2.

What is the InChIKey of dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide?

The InChIKey is OUEDTYOWZMKAMR-OPRPFPOWSA-L. The full InChI is InChI=1S/C30H33N7O4.C28H31N7O5.C17H18N4O.C13H15N3O3.CH2O3.2Cs.Li.H2O.H/c1-2-40-29(39)16-26(24-18-31-19-27(35-24)36-13-4-6-28(36)38)37-25-10-9-23(15-21(25)17-33-37)41-14-11-22-8-7-20-5-3-12-32-30(20)34-22;36-26(37)4-2-10-30-25-17-29-16-22(34-25)24(14-27(38)39)35-23-8-7-21(13-19(23)15-32-35)40-12-9-20-6-5-18-3-1-11-31-28(18)33-20;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;1-2-19-13(18)6-5-10-8-14-9-11(15-10)16-7-3-4-12(16)17;2-1-4-3;;;;;/h7-10,15,17-19,26H,2-6,11-14,16H2,1H3,(H,32,34);5-8,13,15-17,24H,1-4,9-12,14H2,(H,30,34)(H,31,33)(H,36,37)(H,38,39);3-6,10-11H,1-2,7-9H2,(H,18,20)(H,19,21);5-6,8-9H,2-4,7H2,1H3;1,3H;;;;1H2;/q;;;;;3*+1;;-1/p-2/b;;;6-5+;;;;;;.

What are the key properties of dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide?

dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide has a molecular weight of 2008.66 g/mol, XLogP of 0.91, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;lithium;4-[[6-[2-carboxy-1-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indazol-1-yl]ethyl]pyrazin-2-yl]amino]butanoic acid;ethyl (E)-3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-yl]prop-2-enoate;ethyl 3-[6-(2-oxopyrrolidin-1-yl)pyrazin-2-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;hydroxide is sourced from PubChem (CID 160560745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).