N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide

C88H106N16O14S4 — CID 162019718

About N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide

N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide (PubChem CID 162019718) has the molecular formula C88H106N16O14S4 and a molecular weight of 1740.18 g/mol. Its IUPAC name is N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide
• PubChem CID: 162019718
• Molecular Formula: C88H106N16O14S4
• Molecular Weight: 1740.18 g/mol
• Exact Mass: 1738.70
• IUPAC Name: N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide
• SMILES: CC(C)C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3n2)cc1.CC(CCO)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccc4)c3n2)cc1.COc1ccccc1C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/2C23H22N4O4S.C23H22N4O3S.C19H22N4O3S.9H2/c1-14(2)32(29,30)16-10-8-15(9-11-16)18-12-24-22-21(26-18)19(13-25-22)27-23(28)17-6-4-5-7-20(17)31-3;1-15(11-12-28)32(30,31)18-9-7-16(8-10-18)19-13-24-22-21(26-19)20(14-25-22)27-23(29)17-5-3-2-4-6-17;1-15(2)31(29,30)18-10-8-17(9-11-18)19-13-24-23-22(27-19)20(14-25-23)26-21(28)12-16-6-4-3-5-7-16;1-11(2)19(24)23-16-10-21-18-17(16)22-15(9-20-18)13-5-7-14(8-6-13)27(25,26)12(3)4;;;;;;;;;/h4-14H,1-3H3,(H,24,25)(H,27,28);2-10,13-15,28H,11-12H2,1H3,(H,24,25)(H,27,29);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);5-12H,1-4H3,(H,20,21)(H,23,24);9*1H
• InChIKey: YUOZUHZISXRERJ-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 448.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1740.18
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide?

The IUPAC name of N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide (CID 162019718) is N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide.

What is the SMILES notation for N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide?

The canonical SMILES for N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide is CC(C)C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3n2)cc1.CC(CCO)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)c4ccccc4)c3n2)cc1.COc1ccccc1C(=O)Nc1c[nH]c2ncc(-c3ccc(S(=O)(=O)C(C)C)cc3)nc12.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide?

The InChIKey is YUOZUHZISXRERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N4O4S.C23H22N4O3S.C19H22N4O3S.9H2/c1-14(2)32(29,30)16-10-8-15(9-11-16)18-12-24-22-21(26-18)19(13-25-22)27-23(28)17-6-4-5-7-20(17)31-3;1-15(11-12-28)32(30,31)18-9-7-16(8-10-18)19-13-24-22-21(26-19)20(14-25-22)27-23(29)17-5-3-2-4-6-17;1-15(2)31(29,30)18-10-8-17(9-11-18)19-13-24-23-22(27-19)20(14-25-23)26-21(28)12-16-6-4-3-5-7-16;1-11(2)19(24)23-16-10-21-18-17(16)22-15(9-20-18)13-5-7-14(8-6-13)27(25,26)12(3)4;;;;;;;;;/h4-14H,1-3H3,(H,24,25)(H,27,28);2-10,13-15,28H,11-12H2,1H3,(H,24,25)(H,27,29);3-11,13-15H,12H2,1-2H3,(H,24,25)(H,26,28);5-12H,1-4H3,(H,20,21)(H,23,24);9*1H.

What are the key properties of N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide?

N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide has a molecular weight of 1740.18 g/mol, XLogP of 17.09, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-hydroxybutan-2-ylsulfonyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]benzamide;2-methyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanamide;molecular hydrogen;2-phenyl-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide is sourced from PubChem (CID 162019718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).