dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate

C79H95F3K2N24O16S8 — CID 159680256

About dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate

dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate (PubChem CID 159680256) has the molecular formula C79H95F3K2N24O16S8 and a molecular weight of 2028.51 g/mol. Its IUPAC name is dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate
• PubChem CID: 159680256
• Molecular Formula: C79H95F3K2N24O16S8
• Molecular Weight: 2028.51 g/mol
• Exact Mass: 2026.43
• IUPAC Name: dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate
• SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(/C=C/CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(CCCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CCCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CCCOC(=O)C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C21H28N6O3S2.C21H26N6O3S2.C19H19F3N6O4S2.C17H20N6O3S2.CH2O3.2K.H/c2*1-21(2,3)27-32(29,30)18-9-8-16(31-18)20-22-12-14(5-4-10-28)19(24-20)23-17-11-15(25-26-17)13-6-7-13;20-19(21,22)18(29)32-7-1-2-11-9-24-17(13-5-6-15(33-13)34(23,30)31)26-16(11)25-14-8-12(27-28-14)10-3-4-10;18-28(25,26)15-6-5-13(27-15)17-19-9-11(2-1-7-24)16(21-17)20-14-8-12(22-23-14)10-3-4-10;2-1-4-3;;;/h8-9,11-13,27-28H,4-7,10H2,1-3H3,(H2,22,23,24,25,26);4-5,8-9,11-13,27-28H,6-7,10H2,1-3H3,(H2,22,23,24,25,26);5-6,8-10H,1-4,7H2,(H2,23,30,31)(H2,24,25,26,27,28);5-6,8-10,24H,1-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);1,3H;;;/q;;;;;2*+1;-1/p-1/b;5-4+
• InChIKey: LHYJCRFNLZIXFT-DVNDTLOASA-M
• XLogP: 5.09
• TPSA: 614.97 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 36
• Rotatable Bonds: 35
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2028.51
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate?

The IUPAC name of dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate (CID 159680256) is dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate.

What is the SMILES notation for dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate?

The canonical SMILES for dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate is CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(/C=C/CO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.CC(C)(C)NS(=O)(=O)c1ccc(-c2ncc(CCCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CCCO)c(Nc3cc(C4CC4)[nH]n3)n2)s1.NS(=O)(=O)c1ccc(-c2ncc(CCCOC(=O)C(F)(F)F)c(Nc3cc(C4CC4)[nH]n3)n2)s1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate?

The InChIKey is LHYJCRFNLZIXFT-DVNDTLOASA-M. The full InChI is InChI=1S/C21H28N6O3S2.C21H26N6O3S2.C19H19F3N6O4S2.C17H20N6O3S2.CH2O3.2K.H/c2*1-21(2,3)27-32(29,30)18-9-8-16(31-18)20-22-12-14(5-4-10-28)19(24-20)23-17-11-15(25-26-17)13-6-7-13;20-19(21,22)18(29)32-7-1-2-11-9-24-17(13-5-6-15(33-13)34(23,30)31)26-16(11)25-14-8-12(27-28-14)10-3-4-10;18-28(25,26)15-6-5-13(27-15)17-19-9-11(2-1-7-24)16(21-17)20-14-8-12(22-23-14)10-3-4-10;2-1-4-3;;;/h8-9,11-13,27-28H,4-7,10H2,1-3H3,(H2,22,23,24,25,26);4-5,8-9,11-13,27-28H,6-7,10H2,1-3H3,(H2,22,23,24,25,26);5-6,8-10H,1-4,7H2,(H2,23,30,31)(H2,24,25,26,27,28);5-6,8-10,24H,1-4,7H2,(H2,18,25,26)(H2,19,20,21,22,23);1,3H;;;/q;;;;;2*+1;-1/p-1/b;5-4+;;;;;;.

What are the key properties of dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate?

dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate has a molecular weight of 2028.51 g/mol, XLogP of 5.09, 35 rotatable bonds, 15 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-[(E)-3-hydroxyprop-1-enyl]pyrimidin-2-yl]thiophene-2-sulfonamide;N-tert-butyl-5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(3-hydroxypropyl)pyrimidin-2-yl]thiophene-2-sulfonamide;3-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-(5-sulfamoylthiophen-2-yl)pyrimidin-5-yl]propyl 2,2,2-trifluoroacetate;hydride;oxido formate is sourced from PubChem (CID 159680256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).