N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen

C67H70N12O12S3 — CID 159452763

About N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen

N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen (PubChem CID 159452763) has the molecular formula C67H70N12O12S3 and a molecular weight of 1331.57 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen.

Molecular Properties

• Compound Name: N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen
• PubChem CID: 159452763
• Molecular Formula: C67H70N12O12S3
• Molecular Weight: 1331.57 g/mol
• Exact Mass: 1330.44
• IUPAC Name: N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCC(O)C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccc(CCO)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1.[H][H]
• InChI: InChI=1S/C24H24N4O4S.C22H20N4O4S.C21H24N4O4S.H2/c1-15(2)33(31,32)19-9-5-17(6-10-19)21-14-26-23-22(28-21)20(13-25-23)24(30)27-18-7-3-16(4-8-18)11-12-29;1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15;1-13(2)30(28,29)16-7-5-14(6-8-16)18-11-23-20-19(24-18)17(10-22-20)21(27)25-9-3-4-15(26)12-25;/h3-10,13-15,29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-13,27H,1-2H3,(H,23,24)(H,25,28);5-8,10-11,13,15,26H,3-4,9,12H2,1-2H3,(H,22,23);1H
• InChIKey: LTOXDUNSPBVKOW-UHFFFAOYSA-N
• XLogP: 10.01
• TPSA: 366.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1331.57
LogP ≤ 5	10.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen?

The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen (CID 159452763) is N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen.

What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen?

The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)N4CCCC(O)C4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4ccc(CCO)cc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)Nc4cccc(O)c4)c3n2)cc1.[H][H].

What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen?

The InChIKey is LTOXDUNSPBVKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S.C22H20N4O4S.C21H24N4O4S.H2/c1-15(2)33(31,32)19-9-5-17(6-10-19)21-14-26-23-22(28-21)20(13-25-23)24(30)27-18-7-3-16(4-8-18)11-12-29;1-13(2)31(29,30)17-8-6-14(7-9-17)19-12-24-21-20(26-19)18(11-23-21)22(28)25-15-4-3-5-16(27)10-15;1-13(2)30(28,29)16-7-5-14(6-8-16)18-11-23-20-19(24-18)17(10-22-20)21(27)25-9-3-4-15(26)12-25;/h3-10,13-15,29H,11-12H2,1-2H3,(H,25,26)(H,27,30);3-13,27H,1-2H3,(H,23,24)(H,25,28);5-8,10-11,13,15,26H,3-4,9,12H2,1-2H3,(H,22,23);1H.

What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen?

N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen has a molecular weight of 1331.57 g/mol, XLogP of 10.01, 16 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2-hydroxyethyl)phenyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-(3-hydroxyphenyl)-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;(3-hydroxypiperidin-1-yl)-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone;molecular hydrogen is sourced from PubChem (CID 159452763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).