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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid

C59H61Cl2F5N12O14 — CID 160706084

About 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid

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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid (PubChem CID 160706084) has the molecular formula C59H61Cl2F5N12O14 and a molecular weight of 1328.10 g/mol. Its IUPAC name is 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid
• PubChem CID: 160706084
• Molecular Formula: C59H61Cl2F5N12O14
• Molecular Weight: 1328.10 g/mol
• Exact Mass: 1326.37
• IUPAC Name: 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid
• SMILES: C.CC(=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(CCC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C22H21ClFN5O4.C13H15ClFNO.C11H11N3O3.C10H9N3O4.C2HF3O2.CH4/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;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;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);1-3,9H,4-8H2,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3,14H,4H2,(H2,11,17)(H,15,16);(H,6,7);1H4
• InChIKey: KLCHDUWMMPECNZ-UHFFFAOYSA-N
• XLogP: 6.85
• TPSA: 413.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1328.10
LogP ≤ 5	6.85
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid?

The IUPAC name of 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid (CID 160706084) is 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid?

The canonical SMILES for 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid is C.CC(=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(CCC1CC1)NCc1cccc(Cl)c1F.O=C(O)C(F)(F)F.

What is the InChIKey of 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid?

The InChIKey is KLCHDUWMMPECNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O4.C13H15ClFNO.C11H11N3O3.C10H9N3O4.C2HF3O2.CH4/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;14-11-3-1-2-10(13(11)15)8-16-12(17)7-6-9-4-5-9;1-6(15)5-14-9-3-2-7(16)4-8(9)10(13-14)11(12)17;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);1-3,9H,4-8H2,(H,16,17);2-4,16H,5H2,1H3,(H2,12,17);1-3,14H,4H2,(H2,11,17)(H,15,16);(H,6,7);1H4.

What are the key properties of 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid?

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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid has a molecular weight of 1328.10 g/mol, XLogP of 6.85, 19 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 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]-3-cyclopropylpropanamide;5-hydroxy-1-(2-oxopropyl)indazole-3-carboxamide;methane;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 160706084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).