N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

C23H27F3N6O6S — CID 70024918

About N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid

N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 70024918) has the molecular formula C23H27F3N6O6S and a molecular weight of 572.57 g/mol. Its IUPAC name is N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 70024918
• Molecular Formula: C23H27F3N6O6S
• Molecular Weight: 572.57 g/mol
• Exact Mass: 572.17
• IUPAC Name: N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(=O)NCc1ccc2[nH]nc(N)c2c1-n1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H26N6O4S.C2HF3O2/c1-11-8-16(32(30,31)10-13-4-3-5-13)18(22)21(29)27(11)19-14(9-24-12(2)28)6-7-15-17(19)20(23)26-25-15;3-2(4,5)1(6)7/h6-8,13H,3-5,9-10,22H2,1-2H3,(H,24,28)(H3,23,25,26);(H,6,7)
• InChIKey: IFPJBAOPPXMVSF-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 203.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.57
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid (CID 70024918) is N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is CC(=O)NCc1ccc2[nH]nc(N)c2c1-n1c(C)cc(S(=O)(=O)CC2CCC2)c(N)c1=O.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is IFPJBAOPPXMVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4S.C2HF3O2/c1-11-8-16(32(30,31)10-13-4-3-5-13)18(22)21(29)27(11)19-14(9-24-12(2)28)6-7-15-17(19)20(23)26-25-15;3-2(4,5)1(6)7/h6-8,13H,3-5,9-10,22H2,1-2H3,(H,24,28)(H3,23,25,26);(H,6,7).

What are the key properties of N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid?

N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 572.57 g/mol, XLogP of 2.03, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-amino-4-[3-amino-4-(cyclobutylmethylsulfonyl)-6-methyl-2-oxo-1-pyridinyl]-1H-indazol-5-yl]methyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70024918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).