3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)

C105H90ClF6N31O9 — CID 158257402

About 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)

3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 158257402) has the molecular formula C105H90ClF6N31O9 and a molecular weight of 2079.52 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 158257402
• Molecular Formula: C105H90ClF6N31O9
• Molecular Weight: 2079.52 g/mol
• Exact Mass: 2077.71
• IUPAC Name: 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)
• SMILES: CN(C)C(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.NC(=O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1.NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H16N6O.C18H18N4O.C17H14N6O.C16H12ClN5.C16H12N6O.C16H16N4O.2C2HF3O2/c1-24(2)18(25)13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-23-17)6-7-15(14)21-22-16;19-18(23)13-4-7-16-15(9-13)17(22-21-16)12-3-1-2-11(8-12)10-20-14-5-6-14;1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-15(23)10-3-1-2-9(6-10)14-12-7-11(16-18-8-19-22-16)4-5-13(12)20-21-14;1-18-9-10-3-2-4-11(7-10)15-13-8-12(16(17)21)5-6-14(13)19-20-15;2*3-2(4,5)1(6)7/h3-10H,1-2H3,(H,21,22)(H,19,20,23);1-4,7-9,14,20H,5-6,10H2,(H2,19,23)(H,21,22);2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H2,17,23)(H,20,21)(H,18,19,22);2-8,18H,9H2,1H3,(H2,17,21)(H,19,20);2*(H,6,7)
• InChIKey: SKPDUNOKPLMOHX-UHFFFAOYSA-N
• XLogP: 17.08
• TPSA: 615.70 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2079.52
LogP ≤ 5	17.08
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)?

The IUPAC name of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid) (CID 158257402) is 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(C(N)=O)cc23)c1.Cc1nc(-c2ccc3[nH]nc(-c4ccc(Cl)cc4)c3c2)n[nH]1.NC(=O)c1ccc2[nH]nc(-c3cccc(CNC4CC4)c3)c2c1.NC(=O)c1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is SKPDUNOKPLMOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O.C18H18N4O.C17H14N6O.C16H12ClN5.C16H12N6O.C16H16N4O.2C2HF3O2/c1-24(2)18(25)13-5-3-4-11(8-13)16-14-9-12(17-19-10-20-23-17)6-7-15(14)21-22-16;19-18(23)13-4-7-16-15(9-13)17(22-21-16)12-3-1-2-11(8-12)10-20-14-5-6-14;1-18-17(24)12-4-2-3-10(7-12)15-13-8-11(16-19-9-20-23-16)5-6-14(13)21-22-15;1-9-18-16(22-19-9)11-4-7-14-13(8-11)15(21-20-14)10-2-5-12(17)6-3-10;17-15(23)10-3-1-2-9(6-10)14-12-7-11(16-18-8-19-22-16)4-5-13(12)20-21-14;1-18-9-10-3-2-4-11(7-10)15-13-8-12(16(17)21)5-6-14(13)19-20-15;2*3-2(4,5)1(6)7/h3-10H,1-2H3,(H,21,22)(H,19,20,23);1-4,7-9,14,20H,5-6,10H2,(H2,19,23)(H,21,22);2-9H,1H3,(H,18,24)(H,21,22)(H,19,20,23);2-8H,1H3,(H,20,21)(H,18,19,22);1-8H,(H2,17,23)(H,20,21)(H,18,19,22);2-8,18H,9H2,1H3,(H2,17,21)(H,19,20);2*(H,6,7).

What are the key properties of 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid)?

3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2079.52 g/mol, XLogP of 17.08, 20 rotatable bonds, 18 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-indazole;3-[3-[(cyclopropylamino)methyl]phenyl]-1H-indazole-5-carboxamide;N,N-dimethyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[3-(methylaminomethyl)phenyl]-1H-indazole-5-carboxamide;N-methyl-3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]benzamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 158257402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).