tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate

C99H99F6N13O10S2 — CID 159565762

About tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate

tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate (PubChem CID 159565762) has the molecular formula C99H99F6N13O10S2 and a molecular weight of 1809.08 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate
• PubChem CID: 159565762
• Molecular Formula: C99H99F6N13O10S2
• Molecular Weight: 1809.08 g/mol
• Exact Mass: 1807.70
• IUPAC Name: tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate
• SMILES: C.C.C.C.Cc1[nH]nc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)cc12.Cc1c2cc(-c3cc(O)cnc3-c3ccccc3)ccc2nn1C.Cc1c2cc(-c3cc(OC[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccccc3)ccc2nn1C.Cc1c2cc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)ccc2nn1C
• InChI: InChI=1S/C34H36N4O3.C21H16F3N3O3S.C20H14F3N3O3S.C20H17N3O.4CH4/c1-23-29-19-26(16-17-31(29)37-38(23)5)30-20-28(21-35-32(30)25-14-10-7-11-15-25)40-22-27(18-24-12-8-6-9-13-24)36-33(39)41-34(2,3)4;1-13-17-10-15(8-9-19(17)26-27(13)2)18-11-16(30-31(28,29)21(22,23)24)12-25-20(18)14-6-4-3-5-7-14;1-12-16-9-14(7-8-18(16)26-25-12)17-10-15(29-30(27,28)20(21,22)23)11-24-19(17)13-5-3-2-4-6-13;1-13-17-10-15(8-9-19(17)22-23(13)2)18-11-16(24)12-21-20(18)14-6-4-3-5-7-14;;;;/h6-17,19-21,27H,18,22H2,1-5H3,(H,36,39);3-12H,1-2H3;2-11H,1H3,(H,25,26);3-12,24H,1-2H3;4*1H4/t27-;;;;;;;/m0......./s1
• InChIKey: MHEFLUODOHBRRX-IRLYQUJQSA-N
• XLogP: 23.65
• TPSA: 288.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1809.08
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate?

The IUPAC name of tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate (CID 159565762) is tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate.

What is the SMILES notation for tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate?

The canonical SMILES for tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate is C.C.C.C.Cc1[nH]nc2ccc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)cc12.Cc1c2cc(-c3cc(O)cnc3-c3ccccc3)ccc2nn1C.Cc1c2cc(-c3cc(OC[C@H](Cc4ccccc4)NC(=O)OC(C)(C)C)cnc3-c3ccccc3)ccc2nn1C.Cc1c2cc(-c3cc(OS(=O)(=O)C(F)(F)F)cnc3-c3ccccc3)ccc2nn1C.

What is the InChIKey of tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate?

The InChIKey is MHEFLUODOHBRRX-IRLYQUJQSA-N. The full InChI is InChI=1S/C34H36N4O3.C21H16F3N3O3S.C20H14F3N3O3S.C20H17N3O.4CH4/c1-23-29-19-26(16-17-31(29)37-38(23)5)30-20-28(21-35-32(30)25-14-10-7-11-15-25)40-22-27(18-24-12-8-6-9-13-24)36-33(39)41-34(2,3)4;1-13-17-10-15(8-9-19(17)26-27(13)2)18-11-16(30-31(28,29)21(22,23)24)12-25-20(18)14-6-4-3-5-7-14;1-12-16-9-14(7-8-18(16)26-25-12)17-10-15(29-30(27,28)20(21,22)23)11-24-19(17)13-5-3-2-4-6-13;1-13-17-10-15(8-9-19(17)22-23(13)2)18-11-16(24)12-21-20(18)14-6-4-3-5-7-14;;;;/h6-17,19-21,27H,18,22H2,1-5H3,(H,36,39);3-12H,1-2H3;2-11H,1H3,(H,25,26);3-12,24H,1-2H3;4*1H4/t27-;;;;;;;/m0......./s1.

What are the key properties of tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate?

tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate has a molecular weight of 1809.08 g/mol, XLogP of 23.65, 18 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-[[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl]oxy]-3-phenylpropan-2-yl]carbamate;5-(2,3-dimethylindazol-5-yl)-6-phenylpyridin-3-ol;[5-(2,3-dimethylindazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate;methane;[5-(3-methyl-2H-indazol-5-yl)-6-phenyl-3-pyridinyl] trifluoromethanesulfonate is sourced from PubChem (CID 159565762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).