N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

C17H15FN4O2S — CID 59796899

About N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (PubChem CID 59796899) has the molecular formula C17H15FN4O2S and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
• PubChem CID: 59796899
• Molecular Formula: C17H15FN4O2S
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.09
• IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide
• SMILES: C[C@H](NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C(N)=O
• InChI: InChI=1S/C17H15FN4O2S/c1-9(16(19)23)20-17(24)11-7-12-14(5-4-10-3-2-6-25-10)21-22-15(12)8-13(11)18/h2-9H,1H3,(H2,19,23)(H,20,24)(H,21,22)/b5-4+/t9-/m0/s1
• InChIKey: RFIBNAYLBUMQOA-MOVJSRMASA-N
• XLogP: 2.54
• TPSA: 100.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.40
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?

The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide (CID 59796899) is N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?

The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is C[C@H](NC(=O)c1cc2c(/C=C/c3cccs3)n[nH]c2cc1F)C(N)=O.

What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?

The InChIKey is RFIBNAYLBUMQOA-MOVJSRMASA-N. The full InChI is InChI=1S/C17H15FN4O2S/c1-9(16(19)23)20-17(24)11-7-12-14(5-4-10-3-2-6-25-10)21-22-15(12)8-13(11)18/h2-9H,1H3,(H2,19,23)(H,20,24)(H,21,22)/b5-4+/t9-/m0/s1.

What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide?

N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-6-fluoro-3-[(E)-2-thiophen-2-ylethenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59796899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).