methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid

C76H54F12N10O8 — CID 158469442

About methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid

methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid (PubChem CID 158469442) has the molecular formula C76H54F12N10O8 and a molecular weight of 1463.31 g/mol. Its IUPAC name is methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid.

Molecular Properties

• Compound Name: methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid
• PubChem CID: 158469442
• Molecular Formula: C76H54F12N10O8
• Molecular Weight: 1463.31 g/mol
• Exact Mass: 1462.39
• IUPAC Name: methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid
• SMILES: COC(=O)c1cccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cn(C)c12.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(C(=O)O)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(C(N)=O)c21
• InChI: InChI=1S/C26H19F4N3O3.C25H18F4N4O2.C25H17F4N3O3/c1-32-14-21(19-4-3-5-20(23(19)32)24(34)36-2)25(35,26(28,29)30)16-6-11-22-15(12-16)13-31-33(22)18-9-7-17(27)8-10-18;1-32-13-20(18-3-2-4-19(22(18)32)23(30)34)24(35,25(27,28)29)15-5-10-21-14(11-15)12-31-33(21)17-8-6-16(26)7-9-17;1-31-13-20(18-3-2-4-19(22(18)31)23(33)34)24(35,25(27,28)29)15-5-10-21-14(11-15)12-30-32(21)17-8-6-16(26)7-9-17/h3-14,35H,1-2H3;2-13,35H,1H3,(H2,30,34);2-13,35H,1H3,(H,33,34)
• InChIKey: HGDZVFVDTILMMH-UHFFFAOYSA-N
• XLogP: 14.95
• TPSA: 235.63 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.31
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid?

The IUPAC name of methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid (CID 158469442) is methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid.

What is the SMILES notation for methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid?

The canonical SMILES for methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid is COC(=O)c1cccc2c(C(O)(c3ccc4c(cnn4-c4ccc(F)cc4)c3)C(F)(F)F)cn(C)c12.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(C(=O)O)c21.Cn1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c2cccc(C(N)=O)c21.

What is the InChIKey of methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid?

The InChIKey is HGDZVFVDTILMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N3O3.C25H18F4N4O2.C25H17F4N3O3/c1-32-14-21(19-4-3-5-20(23(19)32)24(34)36-2)25(35,26(28,29)30)16-6-11-22-15(12-16)13-31-33(22)18-9-7-17(27)8-10-18;1-32-13-20(18-3-2-4-19(22(18)32)23(30)34)24(35,25(27,28)29)15-5-10-21-14(11-15)12-31-33(21)17-8-6-16(26)7-9-17;1-31-13-20(18-3-2-4-19(22(18)31)23(33)34)24(35,25(27,28)29)15-5-10-21-14(11-15)12-30-32(21)17-8-6-16(26)7-9-17/h3-14,35H,1-2H3;2-13,35H,1H3,(H2,30,34);2-13,35H,1H3,(H,33,34).

What are the key properties of methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid?

methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid has a molecular weight of 1463.31 g/mol, XLogP of 14.95, 12 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylate;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxamide;1-methyl-3-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-hydroxyethyl]indole-7-carboxylic acid is sourced from PubChem (CID 158469442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).