N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

C102H97F2N19O10S3 — CID 157303555

About N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide

N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (PubChem CID 157303555) has the molecular formula C102H97F2N19O10S3 and a molecular weight of 1883.22 g/mol. Its IUPAC name is N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
• PubChem CID: 157303555
• Molecular Formula: C102H97F2N19O10S3
• Molecular Weight: 1883.22 g/mol
• Exact Mass: 1881.68
• IUPAC Name: N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide
• SMILES: C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4C)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1
• InChI: InChI=1S/C28H29N5O3S.C26H27N5O3S.C26H25N5O3S.C22H16F2N4O/c1-6-7-14-25(34)31-21-12-8-11-20(15-21)24-18-30-27-26(32-24)23(17-29-27)19-10-9-13-22(16-19)37(35,36)33(5)28(2,3)4;2*1-6-23(32)29-19-11-7-10-18(13-19)22-16-28-25-24(30-22)21(15-27-25)17-9-8-12-20(14-17)35(33,34)31(5)26(2,3)4;1-3-20(29)27-15-6-4-5-13(7-15)19-11-26-22-21(28-19)17(10-25-22)16-8-14(23)9-18(24)12(16)2/h8-13,15-18H,6H2,1-5H3,(H,29,30)(H,31,34);6-16H,1H2,2-5H3,(H,27,28)(H,29,32);1,7-16H,2-5H3,(H,27,28)(H,29,32);3-11H,1H2,2H3,(H,25,26)(H,27,29)
• InChIKey: BCEKECCCCJQSKX-UHFFFAOYSA-N
• XLogP: 19.18
• TPSA: 394.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1883.22
LogP ≤ 5	19.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide (CID 157303555) is N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4C)c3n2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3n2)c1.

What is the InChIKey of N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

The InChIKey is BCEKECCCCJQSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O3S.C26H27N5O3S.C26H25N5O3S.C22H16F2N4O/c1-6-7-14-25(34)31-21-12-8-11-20(15-21)24-18-30-27-26(32-24)23(17-29-27)19-10-9-13-22(16-19)37(35,36)33(5)28(2,3)4;2*1-6-23(32)29-19-11-7-10-18(13-19)22-16-28-25-24(30-22)21(15-27-25)17-9-8-12-20(14-17)35(33,34)31(5)26(2,3)4;1-3-20(29)27-15-6-4-5-13(7-15)19-11-26-22-21(28-19)17(10-25-22)16-8-14(23)9-18(24)12(16)2/h8-13,15-18H,6H2,1-5H3,(H,29,30)(H,31,34);6-16H,1H2,2-5H3,(H,27,28)(H,29,32);1,7-16H,2-5H3,(H,27,28)(H,29,32);3-11H,1H2,2H3,(H,25,26)(H,27,29).

What are the key properties of N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide?

N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide has a molecular weight of 1883.22 g/mol, XLogP of 19.18, 20 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]pent-2-ynamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide;N-[3-[7-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-ynamide;N-[3-[7-(3,5-difluoro-2-methylphenyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 157303555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).