N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H24N4O4S — CID 71208015

About N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71208015) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71208015
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC[C@@H](O)c4ccccc4)c3n2)cc1
• InChI: InChI=1S/C24H24N4O4S/c1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,27,30)/t21-/m1/s1
• InChIKey: BCFVZWOZMXIPCC-OAQYLSRUSA-N
• XLogP: 3.27
• TPSA: 125.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71208015) is N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NC[C@@H](O)c4ccccc4)c3n2)cc1.

What is the InChIKey of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is BCFVZWOZMXIPCC-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-15(2)33(31,32)18-10-8-16(9-11-18)20-13-26-23-22(28-20)19(12-25-23)24(30)27-14-21(29)17-6-4-3-5-7-17/h3-13,15,21,29H,14H2,1-2H3,(H,25,26)(H,27,30)/t21-/m1/s1.

What are the key properties of N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxy-2-phenylethyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71208015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).