1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole

C90H64F12N12O5 — CID 157300464

About 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole

1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 157300464) has the molecular formula C90H64F12N12O5 and a molecular weight of 1621.56 g/mol. Its IUPAC name is 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

• Compound Name: 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
• PubChem CID: 157300464
• Molecular Formula: C90H64F12N12O5
• Molecular Weight: 1621.56 g/mol
• Exact Mass: 1620.49
• IUPAC Name: 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole
• SMILES: Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3cccc4ccccc34)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12
• InChI: InChI=1S/C25H17F3N2.C24H16F3N3O.C21H16F3N3O2.C20H15F3N4O2/c26-25(27,28)19-14-12-17(13-15-19)16-30-23-11-4-3-9-22(23)24(29-30)21-10-5-7-18-6-1-2-8-20(18)21;1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23/h1-15H,16H2;2-13H,14-15H2;2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,25,26,28)
• InChIKey: BBVMYKVRZGKLAN-UHFFFAOYSA-N
• XLogP: 22.91
• TPSA: 190.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1621.56
LogP ≤ 5	22.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?

The IUPAC name of 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole (CID 157300464) is 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole.

What is the SMILES notation for 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?

The canonical SMILES for 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole is Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Cc1occc1C(=O)Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12.FC(F)(F)c1ccc(Cn2nc(-c3cccc4ccccc34)c3ccccc32)cc1.[C-]#[N+]c1ccccc1C(=O)Cc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.

What is the InChIKey of 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?

The InChIKey is BBVMYKVRZGKLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2.C24H16F3N3O.C21H16F3N3O2.C20H15F3N4O2/c26-25(27,28)19-14-12-17(13-15-19)16-30-23-11-4-3-9-22(23)24(29-30)21-10-5-7-18-6-1-2-8-20(18)21;1-28-20-8-4-2-7-19(20)23(31)14-21-18-6-3-5-9-22(18)30(29-21)15-16-10-12-17(13-11-16)24(25,26)27;1-13-16(10-11-29-13)20(28)25-19-17-4-2-3-5-18(17)27(26-19)12-14-6-8-15(9-7-14)21(22,23)24;1-12-14(8-9-29-12)19(28)25-18-15-4-2-3-5-16(15)27(26-18)11-13-6-7-17(24-10-13)20(21,22)23/h1-15H,16H2;2-13H,14-15H2;2-11H,12H2,1H3,(H,25,26,28);2-10H,11H2,1H3,(H,25,26,28).

What are the key properties of 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole?

1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole has a molecular weight of 1621.56 g/mol, XLogP of 22.91, 16 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-isocyanophenyl)-2-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]ethanone;2-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide;2-methyl-N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide;3-naphthalen-1-yl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 157300464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).