4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

C24H23FN6O2 — CID 118046136

About 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide

4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 118046136) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

• Compound Name: 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• PubChem CID: 118046136
• Molecular Formula: C24H23FN6O2
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.19
• IUPAC Name: 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
• SMILES: Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)cnn1C
• InChI: InChI=1S/C24H23FN6O2/c1-14-18(11-28-31(14)2)20-12-27-23(26)22(29-20)16-8-9-17(19(25)10-16)24(33)30-21(13-32)15-6-4-3-5-7-15/h3-12,21,32H,13H2,1-2H3,(H2,26,27)(H,30,33)/t21-/m1/s1
• InChIKey: VNIHYLYUJSBBEA-OAQYLSRUSA-N
• XLogP: 3.04
• TPSA: 118.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The IUPAC name of 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide (CID 118046136) is 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide.

What is the SMILES notation for 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The canonical SMILES for 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is Cc1c(-c2cnc(N)c(-c3ccc(C(=O)N[C@H](CO)c4ccccc4)c(F)c3)n2)cnn1C.

What is the InChIKey of 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

The InChIKey is VNIHYLYUJSBBEA-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-14-18(11-28-31(14)2)20-12-27-23(26)22(29-20)16-8-9-17(19(25)10-16)24(33)30-21(13-32)15-6-4-3-5-7-15/h3-12,21,32H,13H2,1-2H3,(H2,26,27)(H,30,33)/t21-/m1/s1.

What are the key properties of 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide?

4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 446.49 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-6-(1,5-dimethylpyrazol-4-yl)pyrazin-2-yl]-2-fluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 118046136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).