2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide

C79H97N21O14S4 — CID 161289250

IUPAC2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N4O4S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S.9H2/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19;;;;;;;;;/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24);9*1H
InChIKeyVGCZMNXTTRXURH-UHFFFAOYSA-N
MW1693.05 g/mol
LogP12.98
Rot. Bonds23

About 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide

2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 161289250) has the molecular formula C79H97N21O14S4 and a molecular weight of 1693.05 g/mol. Its IUPAC name is 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
PubChem CID161289250
Molecular FormulaC79H97N21O14S4
Molecular Weight1693.05 g/mol
Exact Mass1691.64
IUPAC Name2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C23H22N4O4S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S.9H2/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19;;;;;;;;;/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24);9*1H
InChIKeyVGCZMNXTTRXURH-UHFFFAOYSA-N
XLogP12.98
TPSA515.95 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds23
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001693.05
LogP ≤ 512.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyridine-2-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide
CID 157246131
molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]but-3-ynamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]cyclopentanecarboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(1H-1,2,4-triazol-5-yl)acetamide
CID 158103032
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

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide (CID 161289250) is 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide is CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)C4CCOC4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)CC#N)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)COc4ccccc4)c3n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc3[nH]cc(NC(=O)Cc4nn[nH]n4)c3n2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is VGCZMNXTTRXURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S.C20H22N4O4S.C18H18N8O3S.C18H17N5O3S.9H2/c1-15(2)32(29,30)18-10-8-16(9-11-18)19-12-24-23-22(27-19)20(13-25-23)26-21(28)14-31-17-6-4-3-5-7-17;1-12(2)29(26,27)15-5-3-13(4-6-15)16-9-21-19-18(23-16)17(10-22-19)24-20(25)14-7-8-28-11-14;1-10(2)30(28,29)12-5-3-11(4-6-12)13-8-19-18-17(22-13)14(9-20-18)21-16(27)7-15-23-25-26-24-15;1-11(2)27(25,26)13-5-3-12(4-6-13)14-9-20-18-17(23-14)15(10-21-18)22-16(24)7-8-19;;;;;;;;;/h3-13,15H,14H2,1-2H3,(H,24,25)(H,26,28);3-6,9-10,12,14H,7-8,11H2,1-2H3,(H,21,22)(H,24,25);3-6,8-10H,7H2,1-2H3,(H,19,20)(H,21,27)(H,23,24,25,26);3-6,9-11H,7H2,1-2H3,(H,20,21)(H,22,24);9*1H.
What are the key properties of 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide?
2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 1693.05 g/mol, XLogP of 12.98, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;molecular hydrogen;2-phenoxy-N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]acetamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]oxolane-3-carboxamide;N-[2-(4-propan-2-ylsulfonylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 161289250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).