3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide

C22H24FN3O3 — CID 59797305

About 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide (PubChem CID 59797305) has the molecular formula C22H24FN3O3 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
• PubChem CID: 59797305
• Molecular Formula: C22H24FN3O3
• Molecular Weight: 397.45 g/mol
• Exact Mass: 397.18
• IUPAC Name: 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide
• SMILES: COc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12
• InChI: InChI=1S/C22H24FN3O3/c1-13(2)19(12-27)24-22(28)16-9-11-18-20(21(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14/h4-11,13,19,27H,12H2,1-3H3,(H,24,28)(H,25,26)/b10-6+/t19-/m1/s1
• InChIKey: NVDPZOPAZYFGHN-ZAOIQFLMSA-N
• XLogP: 3.63
• TPSA: 87.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.45
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?

The IUPAC name of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide (CID 59797305) is 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide.

What is the SMILES notation for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?

The canonical SMILES for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide is COc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(/C=C/c3ccc(F)cc3)c12.

What is the InChIKey of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?

The InChIKey is NVDPZOPAZYFGHN-ZAOIQFLMSA-N. The full InChI is InChI=1S/C22H24FN3O3/c1-13(2)19(12-27)24-22(28)16-9-11-18-20(21(16)29-3)17(25-26-18)10-6-14-4-7-15(23)8-5-14/h4-11,13,19,27H,12H2,1-3H3,(H,24,28)(H,25,26)/b10-6+/t19-/m1/s1.

What are the key properties of 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide?

3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-2-(4-fluorophenyl)ethenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 59797305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).