6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid

C79H89Cl3F3N17O12 — CID 157379765

About 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid

6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid (PubChem CID 157379765) has the molecular formula C79H89Cl3F3N17O12 and a molecular weight of 1632.04 g/mol. Its IUPAC name is 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid.

Molecular Properties

• Compound Name: 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid
• PubChem CID: 157379765
• Molecular Formula: C79H89Cl3F3N17O12
• Molecular Weight: 1632.04 g/mol
• Exact Mass: 1629.59
• IUPAC Name: 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid
• SMILES: CC(C)(C)CC(=O)Nc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.CC(C)(C)CC(=O)O.Cc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(N)ccc12
• InChI: InChI=1S/C28H32ClFN6O4.C23H23ClFN5O3.C22H22ClFN6O3.C6H12O2/c1-28(2,3)12-22(37)33-17-7-10-19-21(11-17)36(34-26(19)27(31)40)15-24(39)35(18-8-9-18)14-23(38)32-13-16-5-4-6-20(29)25(16)30;1-13-5-8-16-18(9-13)30(28-22(16)23(26)33)12-20(32)29(15-6-7-15)11-19(31)27-10-14-3-2-4-17(24)21(14)25;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-8-13(25)4-7-15(17)21(28-30)22(26)33;1-6(2,3)4-5(7)8/h4-7,10-11,18H,8-9,12-15H2,1-3H3,(H2,31,40)(H,32,38)(H,33,37);2-5,8-9,15H,6-7,10-12H2,1H3,(H2,26,33)(H,27,31);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31);4H2,1-3H3,(H,7,8)
• InChIKey: BKSWTGMHTLGTKY-UHFFFAOYSA-N
• XLogP: 9.48
• TPSA: 423.38 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1632.04
LogP ≤ 5	9.48
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid?

The IUPAC name of 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid (CID 157379765) is 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid.

What is the SMILES notation for 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid?

The canonical SMILES for 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid is CC(C)(C)CC(=O)Nc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.CC(C)(C)CC(=O)O.Cc1ccc2c(C(N)=O)nn(CC(=O)N(CC(=O)NCc3cccc(Cl)c3F)C3CC3)c2c1.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2cc(N)ccc12.

What is the InChIKey of 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid?

The InChIKey is BKSWTGMHTLGTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClFN6O4.C23H23ClFN5O3.C22H22ClFN6O3.C6H12O2/c1-28(2,3)12-22(37)33-17-7-10-19-21(11-17)36(34-26(19)27(31)40)15-24(39)35(18-8-9-18)14-23(38)32-13-16-5-4-6-20(29)25(16)30;1-13-5-8-16-18(9-13)30(28-22(16)23(26)33)12-20(32)29(15-6-7-15)11-19(31)27-10-14-3-2-4-17(24)21(14)25;23-16-3-1-2-12(20(16)24)9-27-18(31)10-29(14-5-6-14)19(32)11-30-17-8-13(25)4-7-15(17)21(28-30)22(26)33;1-6(2,3)4-5(7)8/h4-7,10-11,18H,8-9,12-15H2,1-3H3,(H2,31,40)(H,32,38)(H,33,37);2-5,8-9,15H,6-7,10-12H2,1H3,(H2,26,33)(H,27,31);1-4,7-8,14H,5-6,9-11,25H2,(H2,26,33)(H,27,31);4H2,1-3H3,(H,7,8).

What are the key properties of 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid?

6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid has a molecular weight of 1632.04 g/mol, XLogP of 9.48, 27 rotatable bonds, 9 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-(3,3-dimethylbutanoylamino)indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-6-methylindazole-3-carboxamide;3,3-dimethylbutanoic acid is sourced from PubChem (CID 157379765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).