tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid

C60H62Cl2F5N13O15 — CID 159288062

About tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid

tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 159288062) has the molecular formula C60H62Cl2F5N13O15 and a molecular weight of 1371.13 g/mol. Its IUPAC name is tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 159288062
• Molecular Formula: C60H62Cl2F5N13O15
• Molecular Weight: 1371.13 g/mol
• Exact Mass: 1369.38
• IUPAC Name: tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(O)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(O)cc12.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H21ClFN5O4.C14H17N3O4.C12H14ClFN2O.C10H9N3O4.C2HF3O2/c23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-7-6-14(30)8-15(17)21(27-29)22(25)33;1-14(2,3)21-11(19)7-17-10-5-4-8(18)6-9(10)12(16-17)13(15)20;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;11-10(17)9-6-3-5(14)1-2-7(6)13(12-9)4-8(15)16;3-2(4,5)1(6)7/h1-3,6-8,13,30H,4-5,9-11H2,(H2,25,33)(H,26,31);4-6,18H,7H2,1-3H3,(H2,15,20);1-3,9,15H,4-7H2,(H,16,17);1-3,14H,4H2,(H2,11,17)(H,15,16);(H,6,7)
• InChIKey: ORXQNKINMVGABE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 434.86 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1371.13
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid (CID 159288062) is tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid is CC(C)(C)OC(=O)Cn1nc(C(N)=O)c2cc(O)ccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CC2)c2ccc(O)cc12.NC(=O)c1nn(CC(=O)O)c2ccc(O)cc12.O=C(CNC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.

What is the InChIKey of tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is ORXQNKINMVGABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O4.C14H17N3O4.C12H14ClFN2O.C10H9N3O4.C2HF3O2/c23-16-3-1-2-12(20(16)24)9-26-18(31)10-28(13-4-5-13)19(32)11-29-17-7-6-14(30)8-15(17)21(27-29)22(25)33;1-14(2,3)21-11(19)7-17-10-5-4-8(18)6-9(10)12(16-17)13(15)20;13-10-3-1-2-8(12(10)14)6-16-11(17)7-15-9-4-5-9;11-10(17)9-6-3-5(14)1-2-7(6)13(12-9)4-8(15)16;3-2(4,5)1(6)7/h1-3,6-8,13,30H,4-5,9-11H2,(H2,25,33)(H,26,31);4-6,18H,7H2,1-3H3,(H2,15,20);1-3,9,15H,4-7H2,(H,16,17);1-3,14H,4H2,(H2,11,17)(H,15,16);(H,6,7).

What are the key properties of tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid?

tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 1371.13 g/mol, XLogP of 5.53, 19 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetate;2-(3-carbamoyl-5-hydroxyindazol-1-yl)acetic acid;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]-5-hydroxyindazole-3-carboxamide;N-[(3-chloro-2-fluorophenyl)methyl]-2-(cyclopropylamino)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159288062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).