N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C71H82N12O12S3 — CID 157071589

About N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 157071589) has the molecular formula C71H82N12O12S3 and a molecular weight of 1391.71 g/mol. Its IUPAC name is N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 157071589
• Molecular Formula: C71H82N12O12S3
• Molecular Weight: 1391.71 g/mol
• Exact Mass: 1390.53
• IUPAC Name: N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-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)NCC4CCCCC4O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NOc4ccccc4)c3n2)cc1.Cc1cccc(C(CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C26H28N4O4S.C23H28N4O4S.C22H20N4O4S.3H2/c1-16(2)35(33,34)20-9-7-18(8-10-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(11-12-31)19-6-4-5-17(3)13-19;1-14(2)32(30,31)17-9-7-15(8-10-17)19-13-25-22-21(27-19)18(12-24-22)23(29)26-11-16-5-3-4-6-20(16)28;1-14(2)31(28,29)17-10-8-15(9-11-17)19-13-24-21-20(25-19)18(12-23-21)22(27)26-30-16-6-4-3-5-7-16;;;/h4-10,13-16,22,31H,11-12H2,1-3H3,(H,27,28)(H,30,32);7-10,12-14,16,20,28H,3-6,11H2,1-2H3,(H,24,25)(H,26,29);3-14H,1-2H3,(H,23,24)(H,26,27);3*1H
• InChIKey: ACMOBZJBNMVJHG-UHFFFAOYSA-N
• XLogP: 11.33
• TPSA: 364.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1391.71
LogP ≤ 5	11.33
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 157071589) is N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-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)NCC4CCCCC4O)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(C(=O)NOc4ccccc4)c3n2)cc1.Cc1cccc(C(CCO)NC(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)nc23)c1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is ACMOBZJBNMVJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4S.C23H28N4O4S.C22H20N4O4S.3H2/c1-16(2)35(33,34)20-9-7-18(8-10-20)23-15-28-25-24(29-23)21(14-27-25)26(32)30-22(11-12-31)19-6-4-5-17(3)13-19;1-14(2)32(30,31)17-9-7-15(8-10-17)19-13-25-22-21(27-19)18(12-24-22)23(29)26-11-16-5-3-4-6-20(16)28;1-14(2)31(28,29)17-10-8-15(9-11-17)19-13-24-21-20(25-19)18(12-23-21)22(27)26-30-16-6-4-3-5-7-16;;;/h4-10,13-16,22,31H,11-12H2,1-3H3,(H,27,28)(H,30,32);7-10,12-14,16,20,28H,3-6,11H2,1-2H3,(H,24,25)(H,26,29);3-14H,1-2H3,(H,23,24)(H,26,27);3*1H.

What are the key properties of N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1391.71 g/mol, XLogP of 11.33, 20 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-hydroxycyclohexyl)methyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[3-hydroxy-1-(3-methylphenyl)propyl]-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;molecular hydrogen;N-phenoxy-2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 157071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).