dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate

C136H163Cs2N23O22 — CID 159258933

About dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate (PubChem CID 159258933) has the molecular formula C136H163Cs2N23O22 and a molecular weight of 2737.75 g/mol. Its IUPAC name is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate.

Molecular Properties

• Compound Name: dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate
• PubChem CID: 159258933
• Molecular Formula: C136H163Cs2N23O22
• Molecular Weight: 2737.75 g/mol
• Exact Mass: 2736.05
• IUPAC Name: dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate
• SMILES: CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CN1CCCc2nc(CCO)ccc21.CN1CCCc2nc(CCOc3ccc4[nH]ncc4c3)ccc21.CN1CCCc2nc(CCOc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)ccc21.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCN5C)ccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3cc(OCCc4ccc5c(n4)CCCN5C)ccc32)cn1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C31H37N5O4.C27H29N5O4.C23H28N4O3.C18H20N4O.C13H17NO3.C12H14N2O3.C11H16N2O.CH2O3.2Cs.H/c1-31(2,3)40-30(37)18-28(21-8-13-29(38-5)32-19-21)36-26-12-10-24(17-22(26)20-33-36)39-16-14-23-9-11-27-25(34-23)7-6-15-35(27)4;1-31-12-3-4-22-24(31)8-6-20(30-22)11-13-36-21-7-9-23-19(14-21)17-29-32(23)25(15-27(33)34)18-5-10-26(35-2)28-16-18;1-23(2,3)30-22(28)27-20-10-8-18(14-16(20)15-24-27)29-13-11-17-7-9-21-19(25-17)6-5-12-26(21)4;1-22-9-2-3-17-18(22)7-4-14(20-17)8-10-23-15-5-6-16-13(11-15)12-19-21-16;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14;1-13-7-2-3-10-11(13)5-4-9(12-10)6-8-14;2-1-4-3;;;/h8-13,17,19-20,28H,6-7,14-16,18H2,1-5H3;5-10,14,16-17,25H,3-4,11-13,15H2,1-2H3,(H,33,34);7-10,14-15H,5-6,11-13H2,1-4H3;4-7,11-12H,2-3,8-10H2,1H3,(H,19,21);5-9H,1-4H3;4-7,15H,1-3H3;4-5,14H,2-3,6-8H2,1H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;8-6+
• InChIKey: OZGKXAJWGAIHFQ-CJCZCLCJSA-M
• XLogP: 14.77
• TPSA: 516.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2737.75
LogP ≤ 5	14.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate?

The IUPAC name of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate (CID 159258933) is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate.

What is the SMILES notation for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate?

The canonical SMILES for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate is CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CN1CCCc2nc(CCO)ccc21.CN1CCCc2nc(CCOc3ccc4[nH]ncc4c3)ccc21.CN1CCCc2nc(CCOc3ccc4c(cnn4C(=O)OC(C)(C)C)c3)ccc21.COc1ccc(/C=C/C(=O)OC(C)(C)C)cn1.COc1ccc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCN5C)ccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3cc(OCCc4ccc5c(n4)CCCN5C)ccc32)cn1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate?

The InChIKey is OZGKXAJWGAIHFQ-CJCZCLCJSA-M. The full InChI is InChI=1S/C31H37N5O4.C27H29N5O4.C23H28N4O3.C18H20N4O.C13H17NO3.C12H14N2O3.C11H16N2O.CH2O3.2Cs.H/c1-31(2,3)40-30(37)18-28(21-8-13-29(38-5)32-19-21)36-26-12-10-24(17-22(26)20-33-36)39-16-14-23-9-11-27-25(34-23)7-6-15-35(27)4;1-31-12-3-4-22-24(31)8-6-20(30-22)11-13-36-21-7-9-23-19(14-21)17-29-32(23)25(15-27(33)34)18-5-10-26(35-2)28-16-18;1-23(2,3)30-22(28)27-20-10-8-18(14-16(20)15-24-27)29-13-11-17-7-9-21-19(25-17)6-5-12-26(21)4;1-22-9-2-3-17-18(22)7-4-14(20-17)8-10-23-15-5-6-16-13(11-15)12-19-21-16;1-13(2,3)17-12(15)8-6-10-5-7-11(16-4)14-9-10;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14;1-13-7-2-3-10-11(13)5-4-9(12-10)6-8-14;2-1-4-3;;;/h8-13,17,19-20,28H,6-7,14-16,18H2,1-5H3;5-10,14,16-17,25H,3-4,11-13,15H2,1-2H3,(H,33,34);7-10,14-15H,5-6,11-13H2,1-4H3;4-7,11-12H,2-3,8-10H2,1H3,(H,19,21);5-9H,1-4H3;4-7,15H,1-3H3;4-5,14H,2-3,6-8H2,1H3;1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;8-6+;;;;;;.

What are the key properties of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate?

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate has a molecular weight of 2737.75 g/mol, XLogP of 14.77, 32 rotatable bonds, 4 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-1,5-naphthyridine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethoxy]indazol-1-yl]propanoic acid;2-(5-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl)ethanol;oxido formate is sourced from PubChem (CID 159258933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).