tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine

C121H136ClN15O16 — CID 157084410

IUPACtert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine
SMILESCC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCCl)ccc3n2C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)ccc21.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(O)cc34)cc2c1.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(OCc5ccccc5)cc34)cc2c1.CCN(CC)CCOc1ccc2c(c1)cc(-c1nn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)n2C(=O)OC(C)(C)C
InChIInChI=1S/C38H46N4O6.C34H36ClN3O6.C28H30N4O2.C21H24N4O2/c1-9-40(10-2)20-21-45-28-16-18-31-27(22-28)23-33(41(31)35(43)47-37(3,4)5)34-30-24-29(46-25-26-14-12-11-13-15-26)17-19-32(30)42(39-34)36(44)48-38(6,7)8;1-33(2,3)43-31(39)37-27-14-12-24(41-17-16-35)18-23(27)19-29(37)30-26-20-25(42-21-22-10-8-7-9-11-22)13-15-28(26)38(36-30)32(40)44-34(4,5)6;1-3-32(4-2)14-15-33-22-10-12-25-21(16-22)17-27(29-25)28-24-18-23(11-13-26(24)30-31-28)34-19-20-8-6-5-7-9-20;1-3-25(4-2)9-10-27-16-6-8-18-14(11-16)12-20(22-18)21-17-13-15(26)5-7-19(17)23-24-21/h11-19,22-24H,9-10,20-21,25H2,1-8H3;7-15,18-20H,16-17,21H2,1-6H3;5-13,16-18,29H,3-4,14-15,19H2,1-2H3,(H,30,31);5-8,11-13,22,26H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyADXQGCCMLXNPQZ-UHFFFAOYSA-N
MW2091.96 g/mol
LogP27.09
Rot. Bonds34

About tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine

tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine (PubChem CID 157084410) has the molecular formula C121H136ClN15O16 and a molecular weight of 2091.96 g/mol. Its IUPAC name is tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine.

Molecular Properties

Compound Nametert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine
PubChem CID157084410
Molecular FormulaC121H136ClN15O16
Molecular Weight2091.96 g/mol
Exact Mass2090.00
IUPAC Nametert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine
SMILESCC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCCl)ccc3n2C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)ccc21.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(O)cc34)cc2c1.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(OCc5ccccc5)cc34)cc2c1.CCN(CC)CCOc1ccc2c(c1)cc(-c1nn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)n2C(=O)OC(C)(C)C
InChIInChI=1S/C38H46N4O6.C34H36ClN3O6.C28H30N4O2.C21H24N4O2/c1-9-40(10-2)20-21-45-28-16-18-31-27(22-28)23-33(41(31)35(43)47-37(3,4)5)34-30-24-29(46-25-26-14-12-11-13-15-26)17-19-32(30)42(39-34)36(44)48-38(6,7)8;1-33(2,3)43-31(39)37-27-14-12-24(41-17-16-35)18-23(27)19-29(37)30-26-20-25(42-21-22-10-8-7-9-11-22)13-15-28(26)38(36-30)32(40)44-34(4,5)6;1-3-32(4-2)14-15-33-22-10-12-25-21(16-22)17-27(29-25)28-24-18-23(11-13-26(24)30-31-28)34-19-20-8-6-5-7-9-20;1-3-25(4-2)9-10-27-16-6-8-18-14(11-16)12-20(22-18)21-17-13-15(26)5-7-19(17)23-24-21/h11-19,22-24H,9-10,20-21,25H2,1-8H3;7-15,18-20H,16-17,21H2,1-6H3;5-13,16-18,29H,3-4,14-15,19H2,1-2H3,(H,30,31);5-8,11-13,22,26H,3-4,9-10H2,1-2H3,(H,23,24)
InChIKeyADXQGCCMLXNPQZ-UHFFFAOYSA-N
XLogP27.09
TPSA334.20 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002091.96
LogP ≤ 527.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine with MolForge

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Related Compounds

tert-butyl 3-[5-(2-bromoethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;5-[methoxy(methyl)phosphoryl]oxy-3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-indazole;5-phenylmethoxy-3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-indazole;3-[5-(2-piperidin-1-ylethoxy)-1H-indol-2-yl]-1H-indazol-5-ol;2,2,2-trifluoroacetic acid
CID 160916054
3-[1-tert-butoxycarbonyl-5-(2-morpholin-4-yl-ethoxy)-1H-indol-2-yl]-5-hydroxyindazole-1-carboxylic acid tert-butyl ester
CID 57562455
Tert-butyl 5-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]indol-2-yl]indazole-1-carboxylate
CID 57562467
3-[5-[2-(Diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylic acid
CID 68860661
tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(5-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate
CID 71010882
3-[5-(2-diethylaminoethoxy)-1H-indol-2-yl]-1H-indazol-5-ol
CID 136055978
2-[[2-[5-[[3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-yl]oxy-methylphosphoryl]oxy-1H-indazol-3-yl]-1H-indol-5-yl]oxy]-N,N-diethylethanamine
CID 136397122
4-[2-[[2-[5-[methoxy(methyl)phosphoryl]oxy-1H-indazol-3-yl]-1H-indol-5-yl]oxy]ethyl]morpholine;4-[2-[1-methyl-2-(5-phenylmethoxy-1H-indazol-3-yl)indol-5-yl]oxyethyl]morpholine;3-[5-(2-morpholin-4-ylethoxy)-1H-indol-2-yl]-1H-indazol-5-ol;4-[2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethyl]morpholine
CID 136647660
tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate
CID 141116647
tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate
CID 141116657
[3-[5-[2-[3-[[3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-yl]oxy-methylphosphoryl]oxypropyl-ethylamino]ethoxy]-1H-indol-2-yl]-1H-indazol-5-yl]oxy-methylphosphinic acid
CID 143063523
5-Hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-5-[2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]ethoxy]indol-2-yl]indazole-1-carboxylic acid
CID 153729830

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine?
The IUPAC name of tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine (CID 157084410) is tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine.
What is the SMILES notation for tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine?
The canonical SMILES for tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine is CC(C)(C)OC(=O)n1nc(-c2cc3cc(OCCCl)ccc3n2C(=O)OC(C)(C)C)c2cc(OCc3ccccc3)ccc21.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(O)cc34)cc2c1.CCN(CC)CCOc1ccc2[nH]c(-c3n[nH]c4ccc(OCc5ccccc5)cc34)cc2c1.CCN(CC)CCOc1ccc2c(c1)cc(-c1nn(C(=O)OC(C)(C)C)c3ccc(OCc4ccccc4)cc13)n2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine?
The InChIKey is ADXQGCCMLXNPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N4O6.C34H36ClN3O6.C28H30N4O2.C21H24N4O2/c1-9-40(10-2)20-21-45-28-16-18-31-27(22-28)23-33(41(31)35(43)47-37(3,4)5)34-30-24-29(46-25-26-14-12-11-13-15-26)17-19-32(30)42(39-34)36(44)48-38(6,7)8;1-33(2,3)43-31(39)37-27-14-12-24(41-17-16-35)18-23(27)19-29(37)30-26-20-25(42-21-22-10-8-7-9-11-22)13-15-28(26)38(36-30)32(40)44-34(4,5)6;1-3-32(4-2)14-15-33-22-10-12-25-21(16-22)17-27(29-25)28-24-18-23(11-13-26(24)30-31-28)34-19-20-8-6-5-7-9-20;1-3-25(4-2)9-10-27-16-6-8-18-14(11-16)12-20(22-18)21-17-13-15(26)5-7-19(17)23-24-21/h11-19,22-24H,9-10,20-21,25H2,1-8H3;7-15,18-20H,16-17,21H2,1-6H3;5-13,16-18,29H,3-4,14-15,19H2,1-2H3,(H,30,31);5-8,11-13,22,26H,3-4,9-10H2,1-2H3,(H,23,24).
What are the key properties of tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine?
tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine has a molecular weight of 2091.96 g/mol, XLogP of 27.09, 34 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(2-chloroethoxy)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;tert-butyl 3-[5-[2-(diethylamino)ethoxy]-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-phenylmethoxyindazole-1-carboxylate;3-[5-[2-(diethylamino)ethoxy]-1H-indol-2-yl]-1H-indazol-5-ol;N,N-diethyl-2-[[2-(5-phenylmethoxy-1H-indazol-3-yl)-1H-indol-5-yl]oxy]ethanamine is sourced from PubChem (CID 157084410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).