dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol

C128H149Cs2N19O21 — CID 159294208

About dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol (PubChem CID 159294208) has the molecular formula C128H149Cs2N19O21 and a molecular weight of 2555.52 g/mol. Its IUPAC name is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol.

Molecular Properties

• Compound Name: dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol
• PubChem CID: 159294208
• Molecular Formula: C128H149Cs2N19O21
• Molecular Weight: 2555.52 g/mol
• Exact Mass: 2553.93
• IUPAC Name: dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol
• SMILES: CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CC(C)(C)OC(=O)n1ncc2cc(OCCc3ccc4c(n3)CCCC4)ccc21.CCOC(=O)CC(c1cncc(CNC(=O)OC(C)(C)C)c1)n1ncc2cc(OCCc3ccc4c(n3)CCCC4)ccc21.COC(=O)NCc1cncc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCC5)ccc32)c1.O=CO[O-].OCCc1ccc2c(n1)CCCC2.[Cs+].[Cs+].[H-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)CCCC2
• InChI: InChI=1S/C34H41N5O5.C29H31N5O5.C23H27N3O3.C18H19N3O.C12H14N2O3.C11H15NO.CH2O3.2Cs.H/c1-5-42-32(40)18-31(25-16-23(19-35-21-25)20-36-33(41)44-34(2,3)4)39-30-13-12-28(17-26(30)22-37-39)43-15-14-27-11-10-24-8-6-7-9-29(24)38-27;1-38-29(37)31-16-19-12-21(17-30-15-19)27(14-28(35)36)34-26-9-8-24(13-22(26)18-32-34)39-11-10-23-7-6-20-4-2-3-5-25(20)33-23;1-23(2,3)29-22(27)26-21-11-10-19(14-17(21)15-24-26)28-13-12-18-9-8-16-6-4-5-7-20(16)25-18;1-2-4-17-13(3-1)5-6-15(20-17)9-10-22-16-7-8-18-14(11-16)12-19-21-18;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14;13-8-7-10-6-5-9-3-1-2-4-11(9)12-10;2-1-4-3;;;/h10-13,16-17,19,21-22,31H,5-9,14-15,18,20H2,1-4H3,(H,36,41);6-9,12-13,15,17-18,27H,2-5,10-11,14,16H2,1H3,(H,31,37)(H,35,36);8-11,14-15H,4-7,12-13H2,1-3H3;5-8,11-12H,1-4,9-10H2,(H,19,21);4-7,15H,1-3H3;5-6,13H,1-4,7-8H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1
• InChIKey: OPSGXPOKKZDFKI-UHFFFAOYSA-M
• XLogP: 14.89
• TPSA: 509.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 32
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2555.52
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The IUPAC name of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol (CID 159294208) is dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol.

What is the SMILES notation for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The canonical SMILES for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol is CC(C)(C)OC(=O)n1ncc2cc(O)ccc21.CC(C)(C)OC(=O)n1ncc2cc(OCCc3ccc4c(n3)CCCC4)ccc21.CCOC(=O)CC(c1cncc(CNC(=O)OC(C)(C)C)c1)n1ncc2cc(OCCc3ccc4c(n3)CCCC4)ccc21.COC(=O)NCc1cncc(C(CC(=O)O)n2ncc3cc(OCCc4ccc5c(n4)CCCC5)ccc32)c1.O=CO[O-].OCCc1ccc2c(n1)CCCC2.[Cs+].[Cs+].[H-].c1cc2[nH]ncc2cc1OCCc1ccc2c(n1)CCCC2.

What is the InChIKey of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

The InChIKey is OPSGXPOKKZDFKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H41N5O5.C29H31N5O5.C23H27N3O3.C18H19N3O.C12H14N2O3.C11H15NO.CH2O3.2Cs.H/c1-5-42-32(40)18-31(25-16-23(19-35-21-25)20-36-33(41)44-34(2,3)4)39-30-13-12-28(17-26(30)22-37-39)43-15-14-27-11-10-24-8-6-7-9-29(24)38-27;1-38-29(37)31-16-19-12-21(17-30-15-19)27(14-28(35)36)34-26-9-8-24(13-22(26)18-32-34)39-11-10-23-7-6-20-4-2-3-5-25(20)33-23;1-23(2,3)29-22(27)26-21-11-10-19(14-17(21)15-24-26)28-13-12-18-9-8-16-6-4-5-7-20(16)25-18;1-2-4-17-13(3-1)5-6-15(20-17)9-10-22-16-7-8-18-14(11-16)12-19-21-18;1-12(2,3)17-11(16)14-10-5-4-9(15)6-8(10)7-13-14;13-8-7-10-6-5-9-3-1-2-4-11(9)12-10;2-1-4-3;;;/h10-13,16-17,19,21-22,31H,5-9,14-15,18,20H2,1-4H3,(H,36,41);6-9,12-13,15,17-18,27H,2-5,10-11,14,16H2,1H3,(H,31,37)(H,35,36);8-11,14-15H,4-7,12-13H2,1-3H3;5-8,11-12H,1-4,9-10H2,(H,19,21);4-7,15H,1-3H3;5-6,13H,1-4,7-8H2;1,3H;;;/q;;;;;;;2*+1;-1/p-1.

What are the key properties of dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol?

dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol has a molecular weight of 2555.52 g/mol, XLogP of 14.89, 32 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;tert-butyl 5-hydroxyindazole-1-carboxylate;tert-butyl 5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazole-1-carboxylate;ethyl 3-[5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoate;hydride;2-[2-(1H-indazol-5-yloxy)ethyl]-5,6,7,8-tetrahydroquinoline;3-[5-[(methoxycarbonylamino)methyl]-3-pyridinyl]-3-[5-[2-(5,6,7,8-tetrahydroquinolin-2-yl)ethoxy]indazol-1-yl]propanoic acid;oxido formate;2-(5,6,7,8-tetrahydroquinolin-2-yl)ethanol is sourced from PubChem (CID 159294208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).