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

C131H158Cs2N28O22 — CID 158092146

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

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate (PubChem CID 158092146) has the molecular formula C131H158Cs2N28O22 and a molecular weight of 2742.69 g/mol. Its IUPAC name is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate
• PubChem CID: 158092146
• Molecular Formula: C131H158Cs2N28O22
• Molecular Weight: 2742.69 g/mol
• Exact Mass: 2741.02
• IUPAC Name: dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate
• SMILES: CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CN1CCNc2nc(CCO)ccc21.CN1CCNc2nc(CCOc3ccc4[nH]ncc4c3)ccc21.CN1CCNc2nc(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)NCCN5C)ccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3cc(OCCc4ccc5c(n4)NCCN5C)ccc32)cn1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C30H36N6O4.C26H28N6O4.C22H27N5O3.C17H19N5O.C13H17NO3.C12H14N2O3.C10H15N3O.CH2O3.2Cs.H/c1-30(2,3)40-28(37)17-26(20-6-11-27(38-5)32-18-20)36-24-10-8-23(16-21(24)19-33-36)39-15-12-22-7-9-25-29(34-22)31-13-14-35(25)4;1-31-11-10-27-26-22(31)6-4-19(30-26)9-12-36-20-5-7-21-18(13-20)16-29-32(21)23(14-25(33)34)17-3-8-24(35-2)28-15-17;1-22(2,3)30-21(28)27-18-8-6-17(13-15(18)14-24-27)29-12-9-16-5-7-19-20(25-16)23-10-11-26(19)4;1-22-8-7-18-17-16(22)5-2-13(20-17)6-9-23-14-3-4-15-12(10-14)11-19-21-15;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;1-13-6-5-11-10-9(13)3-2-8(12-10)4-7-14;2-1-4-3;;;/h6-11,16,18-19,26H,12-15,17H2,1-5H3,(H,31,34);3-8,13,15-16,23H,9-12,14H2,1-2H3,(H,27,30)(H,33,34);5-8,13-14H,9-12H2,1-4H3,(H,23,25);2-5,10-11H,6-9H2,1H3,(H,18,20)(H,19,21);5-9H,1-4H3;4-7,15H,1-3H3;2-3,14H,4-7H2,1H3,(H,11,12);1,3H;;;/q;;;;;;;;2*+1;-1/p-1/b;;;;8-6+
• InChIKey: JXERJESOVCERTP-CJCZCLCJSA-M
• XLogP: 12.16
• TPSA: 576.36 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2742.69
LogP ≤ 5	12.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	48

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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate (CID 158092146) is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate is CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CN1CCNc2nc(CCO)ccc21.CN1CCNc2nc(CCOc3ccc4[nH]ncc4c3)ccc21.CN1CCNc2nc(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)NCCN5C)ccc32)cn1.COc1ccc(C(CC(=O)OC(C)(C)C)n2ncc3cc(OCCc4ccc5c(n4)NCCN5C)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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate?

The InChIKey is JXERJESOVCERTP-CJCZCLCJSA-M. The full InChI is InChI=1S/C30H36N6O4.C26H28N6O4.C22H27N5O3.C17H19N5O.C13H17NO3.C12H14N2O3.C10H15N3O.CH2O3.2Cs.H/c1-30(2,3)40-28(37)17-26(20-6-11-27(38-5)32-18-20)36-24-10-8-23(16-21(24)19-33-36)39-15-12-22-7-9-25-29(34-22)31-13-14-35(25)4;1-31-11-10-27-26-22(31)6-4-19(30-26)9-12-36-20-5-7-21-18(13-20)16-29-32(21)23(14-25(33)34)17-3-8-24(35-2)28-15-17;1-22(2,3)30-21(28)27-18-8-6-17(13-15(18)14-24-27)29-12-9-16-5-7-19-20(25-16)23-10-11-26(19)4;1-22-8-7-18-17-16(22)5-2-13(20-17)6-9-23-14-3-4-15-12(10-14)11-19-21-15;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;1-13-6-5-11-10-9(13)3-2-8(12-10)4-7-14;2-1-4-3;;;/h6-11,16,18-19,26H,12-15,17H2,1-5H3,(H,31,34);3-8,13,15-16,23H,9-12,14H2,1-2H3,(H,27,30)(H,33,34);5-8,13-14H,9-12H2,1-4H3,(H,23,25);2-5,10-11H,6-9H2,1H3,(H,18,20)(H,19,21);5-9H,1-4H3;4-7,15H,1-3H3;2-3,14H,4-7H2,1H3,(H,11,12);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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate?

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate has a molecular weight of 2742.69 g/mol, XLogP of 12.16, 32 rotatable bonds, 9 hydrogen bond donors, and 48 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-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoate;tert-butyl (E)-3-(6-methoxy-3-pyridinyl)prop-2-enoate;tert-butyl 5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazole-1-carboxylate;hydride;6-[2-(1H-indazol-5-yloxy)ethyl]-1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazine;3-(6-methoxy-3-pyridinyl)-3-[5-[2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethoxy]indazol-1-yl]propanoic acid;2-(1-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-6-yl)ethanol;oxido formate is sourced from PubChem (CID 158092146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).